N-benzyl-N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide

C27H28N2O3 — CID 46052545

IUPACN-benzyl-N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(Cc2ccccc2)c2ccc(CC(=O)NCC3CC3)cc2)c1
InChIInChI=1S/C27H28N2O3/c1-32-25-9-5-8-23(17-25)27(31)29(19-22-6-3-2-4-7-22)24-14-12-20(13-15-24)16-26(30)28-18-21-10-11-21/h2-9,12-15,17,21H,10-11,16,18-19H2,1H3,(H,28,30)
InChIKeyIZRLZZAWLRNMBV-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.61
Rot. Bonds9

About N-benzyl-N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide

N-benzyl-N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide (PubChem CID 46052545) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-benzyl-N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-benzyl-N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide
PubChem CID46052545
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC NameN-benzyl-N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(Cc2ccccc2)c2ccc(CC(=O)NCC3CC3)cc2)c1
InChIInChI=1S/C27H28N2O3/c1-32-25-9-5-8-23(17-25)27(31)29(19-22-6-3-2-4-7-22)24-14-12-20(13-15-24)16-26(30)28-18-21-10-11-21/h2-9,12-15,17,21H,10-11,16,18-19H2,1H3,(H,28,30)
InChIKeyIZRLZZAWLRNMBV-UHFFFAOYSA-N
XLogP4.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide 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

N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]benzamide
CID 46052438
N-benzyl-N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methoxybenzamide
CID 46052547
2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(cyclopropylmethyl)acetamide
CID 46160677
N-[(3-fluorophenyl)methyl]-3-methoxy-N-[4-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]phenyl]benzamide
CID 93291337
N-[3-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 46056800
1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 10144171
N-[3-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-3-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 46162461
ethyl (3S)-1-[2-[4-[benzyl-(3-methoxybenzoyl)amino]phenyl]acetyl]piperidine-3-carboxylate
CID 93291351
N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 46052424
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
N-[(3-fluorophenyl)methyl]-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide
CID 46045951
N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 92987108

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide?
The IUPAC name of N-benzyl-N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide (CID 46052545) is N-benzyl-N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-benzyl-N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide?
The canonical SMILES for N-benzyl-N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide is COc1cccc(C(=O)N(Cc2ccccc2)c2ccc(CC(=O)NCC3CC3)cc2)c1.
What is the InChIKey of N-benzyl-N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide?
The InChIKey is IZRLZZAWLRNMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-32-25-9-5-8-23(17-25)27(31)29(19-22-6-3-2-4-7-22)24-14-12-20(13-15-24)16-26(30)28-18-21-10-11-21/h2-9,12-15,17,21H,10-11,16,18-19H2,1H3,(H,28,30).
What are the key properties of N-benzyl-N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide?
N-benzyl-N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide has a molecular weight of 428.53 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide is sourced from PubChem (CID 46052545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).