1-N-(4-acetamidophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide

C21H23N3O4 — CID 109136494

IUPAC1-N-(4-acetamidophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
SMILESCOc1ccccc1CNC(=O)C1CC1C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H23N3O4/c1-13(25)23-15-7-9-16(10-8-15)24-21(27)18-11-17(18)20(26)22-12-14-5-3-4-6-19(14)28-2/h3-10,17-18H,11-12H2,1-2H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyQKULNIOKWSARQZ-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.54
Rot. Bonds7

About 1-N-(4-acetamidophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide

1-N-(4-acetamidophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109136494) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 1-N-(4-acetamidophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-acetamidophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
PubChem CID109136494
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name1-N-(4-acetamidophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
SMILESCOc1ccccc1CNC(=O)C1CC1C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H23N3O4/c1-13(25)23-15-7-9-16(10-8-15)24-21(27)18-11-17(18)20(26)22-12-14-5-3-4-6-19(14)28-2/h3-10,17-18H,11-12H2,1-2H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyQKULNIOKWSARQZ-UHFFFAOYSA-N
XLogP2.54
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-N-(4-acetamidophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-[(2-methoxyphenyl)methyl]-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109136490
1-N-(2,3-dichlorophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136513
2-N-[2-(2-methoxyphenyl)ethyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109137821
2-N-(2-methoxyethyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109132921
1-N-(2,4-difluorophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136506
1-N-[(2-methoxyphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109148544
1-N-(2,5-dichlorophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136510
N-[4-[[(2-methoxyphenyl)methylcarbamoylamino]methyl]phenyl]acetamide
CID 38206034
1-N-(3-chloro-4-methylphenyl)-2-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137853
cis-(1S,2R)-2-[(2-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylate
CID 6945106
trans-(1S,2S)-2-[(2-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 800075
trans-(1R,2R)-2-[(2-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylate
CID 6945107

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-acetamidophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-acetamidophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide (CID 109136494) is 1-N-(4-acetamidophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-acetamidophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-acetamidophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide is COc1ccccc1CNC(=O)C1CC1C(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of 1-N-(4-acetamidophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is QKULNIOKWSARQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-13(25)23-15-7-9-16(10-8-15)24-21(27)18-11-17(18)20(26)22-12-14-5-3-4-6-19(14)28-2/h3-10,17-18H,11-12H2,1-2H3,(H,22,26)(H,23,25)(H,24,27).
What are the key properties of 1-N-(4-acetamidophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide?
1-N-(4-acetamidophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 381.43 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-acetamidophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109136494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).