N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-4-methylbenzamide

C30H28N2O3 — CID 46045788

IUPACN-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-4-methylbenzamide
SMILESCOc1ccc(NC(=O)Cc2ccc(N(Cc3ccccc3)C(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C30H28N2O3/c1-22-8-12-25(13-9-22)30(34)32(21-24-6-4-3-5-7-24)27-16-10-23(11-17-27)20-29(33)31-26-14-18-28(35-2)19-15-26/h3-19H,20-21H2,1-2H3,(H,31,33)
InChIKeyLHAUENNZPKHSCX-UHFFFAOYSA-N
MW464.57 g/mol
LogP6.03
Rot. Bonds8

About N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-4-methylbenzamide

N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-4-methylbenzamide (PubChem CID 46045788) has the molecular formula C30H28N2O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-4-methylbenzamide
PubChem CID46045788
Molecular FormulaC30H28N2O3
Molecular Weight464.57 g/mol
Exact Mass464.21
IUPAC NameN-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-4-methylbenzamide
SMILESCOc1ccc(NC(=O)Cc2ccc(N(Cc3ccccc3)C(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C30H28N2O3/c1-22-8-12-25(13-9-22)30(34)32(21-24-6-4-3-5-7-24)27-16-10-23(11-17-27)20-29(33)31-26-14-18-28(35-2)19-15-26/h3-19H,20-21H2,1-2H3,(H,31,33)
InChIKeyLHAUENNZPKHSCX-UHFFFAOYSA-N
XLogP6.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]propanamide
CID 46045773
N-[3-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 46057086
N-benzyl-4-cyano-N-[3-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]benzamide
CID 46056715
N-benzyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide
CID 46046062
N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 3724237
N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 92987108
N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 42852784
N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide
CID 46045989
1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 10144171
2-(4-methoxyphenyl)-N-(4-methylphenyl)acetamide;methyl 2-(4-methoxyphenyl)acetate
CID 161099806
N-ethyl-4-[[2-(4-methoxyanilino)acetyl]amino]-N-phenylbenzamide
CID 54812554
N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]benzamide
CID 46052438

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-4-methylbenzamide?
The IUPAC name of N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-4-methylbenzamide (CID 46045788) is N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-4-methylbenzamide is COc1ccc(NC(=O)Cc2ccc(N(Cc3ccccc3)C(=O)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-4-methylbenzamide?
The InChIKey is LHAUENNZPKHSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O3/c1-22-8-12-25(13-9-22)30(34)32(21-24-6-4-3-5-7-24)27-16-10-23(11-17-27)20-29(33)31-26-14-18-28(35-2)19-15-26/h3-19H,20-21H2,1-2H3,(H,31,33).
What are the key properties of N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-4-methylbenzamide?
N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-4-methylbenzamide has a molecular weight of 464.57 g/mol, XLogP of 6.03, 8 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-(4-methoxyanilino)-2-oxoethyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 46045788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).