4190318
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1
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5
255
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2.866
2.866
4.5981
4.5981
5.4641
5.4641
6.3301
7.1962
5.4641
8.0622
6.3301
3.732
3.732
6.3301
8.9282
2.866
2
3.732
2
3.732
2.866
5.0656
5.8626
4.386
3.9875
5.6762
6.0747
6.7287
5.9316
5.252
6.7976
7.5947
4.8535
8.4607
7.6636
6.5422
6.9407
3.9441
4.3426
6.9501
6.3301
5.7101
8.6182
9.4651
9.2382
1.4631
4.269
1.4631
4.269
2.866
-1.5
0.5
0.5
1.5
0
2
0.5
0
3
0.5
3.5
0
-1
4.5
0
-2.5
-3
-3
-4
-4
-4.5
-0.4749
-0.4749
2.0826
1.3923
1.4174
2.1077
0.9749
0.9749
3.5826
-0.4749
-0.4749
2.8923
0.9749
0.9749
2.9174
3.6077
-1.5826
-0.8923
4.5
5.12
4.5
-0.5369
-0.31
0.5369
-2.69
-2.69
-4.31
-4.31
-5.12
8
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
252
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
2
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
0
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
11
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07A3000000000000000000000000000000000000000300000000000000000010000001E00000000000804E190063206830004008800215210020208002020000888004E08880E262284B11E873820A4C61198A8079040000000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
N,N-dipentyl-2-phenoxy-acetamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
N,N-dipentyl-2-phenoxyacetamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
N,N-dipentyl-2-phenoxyacetamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
N,N-dipentyl-2-phenoxy-ethanamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
N,N-diamyl-2-phenoxy-acetamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C18H29NO2/c1-3-5-10-14-19(15-11-6-4-2)18(20)16-21-17-12-8-7-9-13-17/h7-9,12-13H,3-6,10-11,14-16H2,1-2H3
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
WQEAPSDSIWQCIL-UHFFFAOYSA-N
Log P
XLogP3
7
3.0
sioc-ccbg.ac.cn
2011.09.13
4.3
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
291.219829
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C18H29NO2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
291.42836
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CCCCCN(CCCCC)C(=O)COC1=CC=CC=C1
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CCCCCN(CCCCC)C(=O)COC1=CC=CC=C1
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
29.5
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
291.219829
21
0
0
0
0
0
0
0
1
1