2-methyl-N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]benzamide

C30H29N3O2 — CID 46057076

IUPAC2-methyl-N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]benzamide
SMILESCc1ccc(CN(C(=O)c2ccccc2C)c2cccc(CC(=O)NCc3ccncc3)c2)cc1
InChIInChI=1S/C30H29N3O2/c1-22-10-12-25(13-11-22)21-33(30(35)28-9-4-3-6-23(28)2)27-8-5-7-26(18-27)19-29(34)32-20-24-14-16-31-17-15-24/h3-18H,19-21H2,1-2H3,(H,32,34)
InChIKeyVFEIJINKASVDOD-UHFFFAOYSA-N
MW463.58 g/mol
LogP5.40
Rot. Bonds8

About 2-methyl-N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]benzamide

2-methyl-N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]benzamide (PubChem CID 46057076) has the molecular formula C30H29N3O2 and a molecular weight of 463.58 g/mol. Its IUPAC name is 2-methyl-N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]benzamide
PubChem CID46057076
Molecular FormulaC30H29N3O2
Molecular Weight463.58 g/mol
Exact Mass463.23
IUPAC Name2-methyl-N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]benzamide
SMILESCc1ccc(CN(C(=O)c2ccccc2C)c2cccc(CC(=O)NCc3ccncc3)c2)cc1
InChIInChI=1S/C30H29N3O2/c1-22-10-12-25(13-11-22)21-33(30(35)28-9-4-3-6-23(28)2)27-8-5-7-26(18-27)19-29(34)32-20-24-14-16-31-17-15-24/h3-18H,19-21H2,1-2H3,(H,32,34)
InChIKeyVFEIJINKASVDOD-UHFFFAOYSA-N
XLogP5.40
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 46057086
N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]propanamide
CID 46052427
N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 46057164
2-[3-[benzyl(tert-butylcarbamoyl)amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 42859196
(E)-N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]-3-phenylprop-2-enamide
CID 46052734
N-benzyl-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-2-methylbenzamide
CID 46045835
2-[3-[tert-butylcarbamoyl-[(4-fluorophenyl)methyl]amino]phenyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 46056347
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46052727
N-[2-(dimethylamino)ethyl]-2-[3-[(4-methylphenyl)methyl-(2-phenoxyacetyl)amino]phenyl]acetamide
CID 46057198
N-benzyl-3-fluoro-N-[3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide
CID 42859312
2-(N-benzyl-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 18230288
N-benzyl-4-methyl-N-[3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 93333842

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]benzamide?
The IUPAC name of 2-methyl-N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]benzamide (CID 46057076) is 2-methyl-N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]benzamide is Cc1ccc(CN(C(=O)c2ccccc2C)c2cccc(CC(=O)NCc3ccncc3)c2)cc1.
What is the InChIKey of 2-methyl-N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]benzamide?
The InChIKey is VFEIJINKASVDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O2/c1-22-10-12-25(13-11-22)21-33(30(35)28-9-4-3-6-23(28)2)27-8-5-7-26(18-27)19-29(34)32-20-24-14-16-31-17-15-24/h3-18H,19-21H2,1-2H3,(H,32,34).
What are the key properties of 2-methyl-N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]benzamide?
2-methyl-N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]benzamide has a molecular weight of 463.58 g/mol, XLogP of 5.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]benzamide is sourced from PubChem (CID 46057076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).