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

C31H30N2O3 — CID 46052547

IUPACN-benzyl-N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(Cc2ccccc2)c2ccc(CC(=O)N(C)Cc3ccccc3)cc2)c1
InChIInChI=1S/C31H30N2O3/c1-32(22-25-10-5-3-6-11-25)30(34)20-24-16-18-28(19-17-24)33(23-26-12-7-4-8-13-26)31(35)27-14-9-15-29(21-27)36-2/h3-19,21H,20,22-23H2,1-2H3
InChIKeyJDYNTLJIQFJIBG-UHFFFAOYSA-N
MW478.59 g/mol
LogP5.74
Rot. Bonds9

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

N-benzyl-N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methoxybenzamide (PubChem CID 46052547) has the molecular formula C31H30N2O3 and a molecular weight of 478.59 g/mol. Its IUPAC name is N-benzyl-N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-benzyl-N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methoxybenzamide
PubChem CID46052547
Molecular FormulaC31H30N2O3
Molecular Weight478.59 g/mol
Exact Mass478.23
IUPAC NameN-benzyl-N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(Cc2ccccc2)c2ccc(CC(=O)N(C)Cc3ccccc3)cc2)c1
InChIInChI=1S/C31H30N2O3/c1-32(22-25-10-5-3-6-11-25)30(34)20-24-16-18-28(19-17-24)33(23-26-12-7-4-8-13-26)31(35)27-14-9-15-29(21-27)36-2/h3-19,21H,20,22-23H2,1-2H3
InChIKeyJDYNTLJIQFJIBG-UHFFFAOYSA-N
XLogP5.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.59
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 46052590
N-benzyl-N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide
CID 46052545
1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 10144171
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
N-ethyl-3-methoxy-N-phenylbenzamide
CID 3345220
2-(N-(3-methoxybenzoyl)anilino)acetic acid
CID 28765030
ethyl (3S)-1-[2-[4-[benzyl-(3-methoxybenzoyl)amino]phenyl]acetyl]piperidine-3-carboxylate
CID 93291351
N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide
CID 46052683
N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide
CID 42859274
N-benzyl-2-(2,4-dimethoxyphenyl)-N-methylacetamide
CID 110767880
N-(4-fluorophenyl)-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 110360811
N-benzyl-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107020688

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methoxybenzamide?
The IUPAC name of N-benzyl-N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methoxybenzamide (CID 46052547) is N-benzyl-N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-benzyl-N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methoxybenzamide?
The canonical SMILES for N-benzyl-N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methoxybenzamide is COc1cccc(C(=O)N(Cc2ccccc2)c2ccc(CC(=O)N(C)Cc3ccccc3)cc2)c1.
What is the InChIKey of N-benzyl-N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methoxybenzamide?
The InChIKey is JDYNTLJIQFJIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O3/c1-32(22-25-10-5-3-6-11-25)30(34)20-24-16-18-28(19-17-24)33(23-26-12-7-4-8-13-26)31(35)27-14-9-15-29(21-27)36-2/h3-19,21H,20,22-23H2,1-2H3.
What are the key properties of N-benzyl-N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methoxybenzamide?
N-benzyl-N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methoxybenzamide has a molecular weight of 478.59 g/mol, XLogP of 5.74, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methoxybenzamide is sourced from PubChem (CID 46052547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).