N-[3-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide

C31H30N2O3 — CID 46057086

IUPACN-[3-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
SMILESCOc1ccc(NC(=O)Cc2cccc(N(Cc3ccc(C)cc3)C(=O)c3ccccc3C)c2)cc1
InChIInChI=1S/C31H30N2O3/c1-22-11-13-24(14-12-22)21-33(31(35)29-10-5-4-7-23(29)2)27-9-6-8-25(19-27)20-30(34)32-26-15-17-28(36-3)18-16-26/h4-19H,20-21H2,1-3H3,(H,32,34)
InChIKeyYWQIEWORVDUYDT-UHFFFAOYSA-N
MW478.59 g/mol
LogP6.34
Rot. Bonds8

About N-[3-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide

N-[3-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 46057086) has the molecular formula C31H30N2O3 and a molecular weight of 478.59 g/mol. Its IUPAC name is N-[3-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[3-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
PubChem CID46057086
Molecular FormulaC31H30N2O3
Molecular Weight478.59 g/mol
Exact Mass478.23
IUPAC NameN-[3-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
SMILESCOc1ccc(NC(=O)Cc2cccc(N(Cc3ccc(C)cc3)C(=O)c3ccccc3C)c2)cc1
InChIInChI=1S/C31H30N2O3/c1-22-11-13-24(14-12-22)21-33(31(35)29-10-5-4-7-23(29)2)27-9-6-8-25(19-27)20-30(34)32-26-15-17-28(36-3)18-16-26/h4-19H,20-21H2,1-3H3,(H,32,34)
InChIKeyYWQIEWORVDUYDT-UHFFFAOYSA-N
XLogP6.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.59
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-4-methylbenzamide
CID 46045788
2-methyl-N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]benzamide
CID 46057076
N-benzyl-4-cyano-N-[3-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]benzamide
CID 46056715
(E)-N-benzyl-N-[3-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-3-phenylprop-2-enamide
CID 46056572
N-(4-fluorophenyl)-2-[3-[(2-methoxyacetyl)-[(4-methylphenyl)methyl]amino]phenyl]acetamide
CID 46057051
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
N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]propanamide
CID 46045773
N-(3-methoxyphenyl)-2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1391995
2-(4-methoxyphenyl)-N-(4-methylphenyl)acetamide;methyl 2-(4-methoxyphenyl)acetate
CID 161099806
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 113163104
N-(4-methylphenyl)-2-naphthalen-2-ylacetamide
CID 9411639

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of N-[3-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide (CID 46057086) is N-[3-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for N-[3-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for N-[3-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide is COc1ccc(NC(=O)Cc2cccc(N(Cc3ccc(C)cc3)C(=O)c3ccccc3C)c2)cc1.
What is the InChIKey of N-[3-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is YWQIEWORVDUYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O3/c1-22-11-13-24(14-12-22)21-33(31(35)29-10-5-4-7-23(29)2)27-9-6-8-25(19-27)20-30(34)32-26-15-17-28(36-3)18-16-26/h4-19H,20-21H2,1-3H3,(H,32,34).
What are the key properties of N-[3-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide?
N-[3-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 478.59 g/mol, XLogP of 6.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 46057086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).