Compound Summary for: CID 56773272

Molecular Formula: C16H18N2O2   Molecular Weight: 270.32632   InChIKey: VYWNLANINKDOHJ-UHFFFAOYSA-N
Compound Information
CID 56773272
Create Date: 2012-03-08
Suppressed Compound
Properties and Descriptors
Properties
Molecular Weight 270.32632 [g/mol]
Molecular FormulaC16H18N2O2
XLogP3-AA2.8
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count3
Exact Mass270.136828
MonoIsotopic Mass270.136828
Topological Polar Surface Area64.4
Heavy Atom Count20
Formal Charge0
Complexity334
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Feature 3D Acceptor Count2
Feature 3D Donor Count2
Feature 3D Cation Count1
Feature 3D Ring Count2
Effective Rotor Count4
Conformer Sampling RMSD0.6
CID Conformer Count26
Descriptors
IUPAC NameN-(2-amino-4,6-dimethylphenyl)-2-methoxybenzamide
InChIInChI=1S/C16H18N2O2/c1-10-8-11(2)15(13(17)9-10)18-16(19)12-6-4-5-7-14(12)20-3/h4-9H,17H2,1-3H3,(H,18,19)
InChIKeyVYWNLANINKDOHJ-UHFFFAOYSA-N
Canonical SMILESCC1=CC(=C(C(=C1)N)NC(=O)C2=CC=CC=C2OC)C
Isomeric SMILESCC1=CC(=C(C(=C1)N)NC(=O)C2=CC=CC=C2OC)C
Old Version Substance Information