N-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide

C20H22N2O3 — CID 8700187

IUPACN-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide
SMILESCc1ccc(OCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1C
InChIInChI=1S/C20H22N2O3/c1-13-7-10-16(11-14(13)2)25-12-19(23)22-18-6-4-3-5-17(18)20(24)21-15-8-9-15/h3-7,10-11,15H,8-9,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeySMERGJMULGYNNU-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.21
Rot. Bonds6

About N-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide

N-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide (PubChem CID 8700187) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide
PubChem CID8700187
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide
SMILESCc1ccc(OCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1C
InChIInChI=1S/C20H22N2O3/c1-13-7-10-16(11-14(13)2)25-12-19(23)22-18-6-4-3-5-17(18)20(24)21-15-8-9-15/h3-7,10-11,15H,8-9,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeySMERGJMULGYNNU-UHFFFAOYSA-N
XLogP3.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-Ethoxy-4-hydroxy-quinoline-3-carboxylic acid benzylamide
CID 18473135
4-Methoxy-N-[2-(morpholine-4-carbonyl)-phenyl]-benzamide
CID 727270
N-(2-methyl-4-{[(4-methylphenoxy)acetyl]amino}phenyl)benzamide
CID 1221794
Acetamide, 2-(4-acetylphenoxy)-N-phenyl-
CID 204987
2-(2-(4-Tert-butylphenoxy)acetamido)benzoic acid
CID 4268702
2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide
CID 2151930
2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide
CID 4572321
N-cyclopropyl-2-[(3-methoxybenzoyl)amino]benzamide
CID 6460197
N-(2-methoxyphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide
CID 7385118
N-cyclopropyl-2-[(2-phenoxyacetyl)amino]benzamide
CID 8700142
2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N-cyclopropylbenzamide
CID 24817925
N-(furan-2-ylmethyl)-2-[(2-phenoxyacetyl)amino]benzamide
CID 1843541

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide (CID 8700187) is N-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide is Cc1ccc(OCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1C.
What is the InChIKey of N-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide?
The InChIKey is SMERGJMULGYNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-7-10-16(11-14(13)2)25-12-19(23)22-18-6-4-3-5-17(18)20(24)21-15-8-9-15/h3-7,10-11,15H,8-9,12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide?
N-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide has a molecular weight of 338.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 8700187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).