60424519
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36
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255
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4.5981
6.3301
2.866
4.5981
6.3301
7.1962
8.1962
7.6962
6.3301
7.1962
5.4641
8.0622
5.4641
8.9282
4.5981
4.5981
3.732
5.4641
5.4641
3.732
4.5981
7.1962
2
3.732
6.7578
8.3038
8.1711
7.2212
8.7788
6.1181
5.7196
6.7976
7.5947
8.4607
7.6636
6.001
8.6182
9.4651
9.2382
4.0611
3.1951
6.001
7.5062
7.7331
6.8862
2.31
1.4631
1.69
3.422
3.1951
4.042
2.067
-2.933
-2.933
-3.933
2.067
3.567
3.567
4.433
3.067
1.567
1.567
2.067
0.567
1.567
0.067
-0.933
-1.433
-1.433
-2.433
-2.433
-2.933
-2.433
-2.433
-4.433
4.0054
2.9564
4.8315
4.8315
3.779
3.6496
2.9593
1.092
1.092
2.5419
2.5419
0.257
1.03
1.257
2.1039
0.377
-1.123
-1.123
-2.97
-2.123
-1.8961
-1.8961
-2.123
-2.97
-3.8961
-4.743
-4.97
8
8
8
8
8
8
16
16
17
18
19
20
17
18
20
19
21
21
0
Compound
Canonicalized
5
2012.05.21
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
408
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
0
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
9
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07A3800000000000000000000001800000000000000300000000000000000010000001E00000000000D04C198063206830004008802215210008208002020000888000E88C80D272284B11A84302225C6158AA98780E01C0E20000108000040004000021000008000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
(E)-N-(cyclopropylmethyl)-N-propyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
(E)-N-(cyclopropylmethyl)-N-propyl-3-(3,4,5-trimethoxyphenyl)-2-propenamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
(E)-N-(cyclopropylmethyl)-N-propyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
(E)-N-(cyclopropylmethyl)-N-propyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
(E)-N-(cyclopropylmethyl)-N-propyl-3-(3,4,5-trimethoxyphenyl)acrylamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C19H27NO4/c1-5-10-20(13-14-6-7-14)18(21)9-8-15-11-16(22-2)19(24-4)17(12-15)23-3/h8-9,11-12,14H,5-7,10,13H2,1-4H3/b9-8+
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
YUNNKUGQEJEKCO-CMDGGOBGSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
3.4
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
333.194008
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C19H27NO4
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
333.42198
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
CCCN(CC1CC1)C(=O)C=CC2=CC(=C(C(=C2)OC)OC)OC
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
CCCN(CC1CC1)C(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
48
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
333.194008
24
0
0
0
1
1
0
0
1
1