N-(3-acetamido-4-methoxyphenyl)-4-(cyclopropanecarbonylamino)benzamide

C20H21N3O4 — CID 35347425

IUPACN-(3-acetamido-4-methoxyphenyl)-4-(cyclopropanecarbonylamino)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1NC(C)=O
InChIInChI=1S/C20H21N3O4/c1-12(24)21-17-11-16(9-10-18(17)27-2)23-20(26)14-5-7-15(8-6-14)22-19(25)13-3-4-13/h5-11,13H,3-4H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyWECNVANXXBMMNC-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.25
Rot. Bonds6

About N-(3-acetamido-4-methoxyphenyl)-4-(cyclopropanecarbonylamino)benzamide

N-(3-acetamido-4-methoxyphenyl)-4-(cyclopropanecarbonylamino)benzamide (PubChem CID 35347425) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(3-acetamido-4-methoxyphenyl)-4-(cyclopropanecarbonylamino)benzamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methoxyphenyl)-4-(cyclopropanecarbonylamino)benzamide
PubChem CID35347425
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-(3-acetamido-4-methoxyphenyl)-4-(cyclopropanecarbonylamino)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1NC(C)=O
InChIInChI=1S/C20H21N3O4/c1-12(24)21-17-11-16(9-10-18(17)27-2)23-20(26)14-5-7-15(8-6-14)22-19(25)13-3-4-13/h5-11,13H,3-4H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyWECNVANXXBMMNC-UHFFFAOYSA-N
XLogP3.25
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-3,5-dimethoxybenzamide
CID 51370675
3-(cyclopentanecarbonylamino)-4-methoxy-N-phenylbenzamide
CID 70686592
N-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide
CID 43004509
N-(5-acetamido-2-methoxyphenyl)-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 16595029
N-(3-acetamido-4-methoxyphenyl)-4-(trifluoromethylsulfanyl)benzamide
CID 24666765
N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide
CID 53491142
N-(3-acetamido-4-methoxyphenyl)-4-butylbenzamide
CID 24666778
N-(3-acetamido-4-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 46543736
4-(cyclopentanecarbonylamino)-N-(4-methoxyphenyl)benzamide
CID 2677112
trans-(1R,3R)-3-[[5-(cyclopropanecarbonylamino)-2-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95391526
N-(5-acetamido-2-methoxyphenyl)-4-cyanobenzamide
CID 2450406
N-[4-(cyclopropanecarbonylamino)phenyl]-4-(methoxymethyl)benzamide
CID 41266000

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methoxyphenyl)-4-(cyclopropanecarbonylamino)benzamide?
The IUPAC name of N-(3-acetamido-4-methoxyphenyl)-4-(cyclopropanecarbonylamino)benzamide (CID 35347425) is N-(3-acetamido-4-methoxyphenyl)-4-(cyclopropanecarbonylamino)benzamide.
What is the SMILES notation for N-(3-acetamido-4-methoxyphenyl)-4-(cyclopropanecarbonylamino)benzamide?
The canonical SMILES for N-(3-acetamido-4-methoxyphenyl)-4-(cyclopropanecarbonylamino)benzamide is COc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1NC(C)=O.
What is the InChIKey of N-(3-acetamido-4-methoxyphenyl)-4-(cyclopropanecarbonylamino)benzamide?
The InChIKey is WECNVANXXBMMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-12(24)21-17-11-16(9-10-18(17)27-2)23-20(26)14-5-7-15(8-6-14)22-19(25)13-3-4-13/h5-11,13H,3-4H2,1-2H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-(3-acetamido-4-methoxyphenyl)-4-(cyclopropanecarbonylamino)benzamide?
N-(3-acetamido-4-methoxyphenyl)-4-(cyclopropanecarbonylamino)benzamide has a molecular weight of 367.41 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methoxyphenyl)-4-(cyclopropanecarbonylamino)benzamide is sourced from PubChem (CID 35347425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).