N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylcyclopropane-1-carboxamide

C21H25NO2 — CID 84563591

IUPACN-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCOc1ccc(C2CC2C(=O)N(Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C21H25NO2/c1-15(2)22(14-16-7-5-4-6-8-16)21(23)20-13-19(20)17-9-11-18(24-3)12-10-17/h4-12,15,19-20H,13-14H2,1-3H3
InChIKeyLRDJPBPZBPMIJR-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.24
Rot. Bonds6

About N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylcyclopropane-1-carboxamide

N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 84563591) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylcyclopropane-1-carboxamide
PubChem CID84563591
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCOc1ccc(C2CC2C(=O)N(Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C21H25NO2/c1-15(2)22(14-16-7-5-4-6-8-16)21(23)20-13-19(20)17-9-11-18(24-3)12-10-17/h4-12,15,19-20H,13-14H2,1-3H3
InChIKeyLRDJPBPZBPMIJR-UHFFFAOYSA-N
XLogP4.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylcyclopropane-1-carboxamide 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

cis-(1S,2R)-2-[benzyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320338
[3-[[[(1R,2R)-2-phenylcyclopropanecarbonyl]-propan-2-ylamino]methyl]phenyl] ethanesulfonate
CID 11903490
[4-[[(2-phenylcyclopropanecarbonyl)-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 3981011
2-amino-N-benzyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 55035812
2-(2-chlorophenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 55550870
trans-(1R,2R)-N-[2-(benzylamino)-2-oxoethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 94824020
trans-(1S,2S)-N-[2-(benzylamino)-2-oxoethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 94824019
cis-(1S,2R)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 93109865
1-N-benzyl-1-N-propan-2-yl-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139859
N-benzyl-2-(1,3-dithiolan-2-ylidene)-3-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-3-oxopropanamide
CID 41000595
[4-[[2-methylpropyl-[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]methyl]phenyl] methanesulfonate
CID 11891391
1-N-benzyl-1-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137207

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylcyclopropane-1-carboxamide (CID 84563591) is N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylcyclopropane-1-carboxamide is COc1ccc(C2CC2C(=O)N(Cc2ccccc2)C(C)C)cc1.
What is the InChIKey of N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is LRDJPBPZBPMIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-15(2)22(14-16-7-5-4-6-8-16)21(23)20-13-19(20)17-9-11-18(24-3)12-10-17/h4-12,15,19-20H,13-14H2,1-3H3.
What are the key properties of N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylcyclopropane-1-carboxamide?
N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 84563591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).