3-(2-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide

C22H22N2O — CID 45207071

IUPAC3-(2-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCc1ccccc1C(CC(=O)NCc1ccncc1)c1ccccc1
InChIInChI=1S/C22H22N2O/c1-17-7-5-6-10-20(17)21(19-8-3-2-4-9-19)15-22(25)24-16-18-11-13-23-14-12-18/h2-14,21H,15-16H2,1H3,(H,24,25)
InChIKeyIYWBVZAAQQWHDP-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.23
Rot. Bonds6

About 3-(2-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide

3-(2-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 45207071) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-(2-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
PubChem CID45207071
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name3-(2-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCc1ccccc1C(CC(=O)NCc1ccncc1)c1ccccc1
InChIInChI=1S/C22H22N2O/c1-17-7-5-6-10-20(17)21(19-8-3-2-4-9-19)15-22(25)24-16-18-11-13-23-14-12-18/h2-14,21H,15-16H2,1H3,(H,24,25)
InChIKeyIYWBVZAAQQWHDP-UHFFFAOYSA-N
XLogP4.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 42783565
(3R)-3-(2-methylphenyl)-3-phenyl-N-[2-(pyridin-3-ylamino)ethyl]propanamide
CID 97282614
N-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide
CID 95228803
2-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 82130126
(3R)-N-benzyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide
CID 27377336
3-imidazo[1,2-a]pyridin-3-yl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 42782840
3,3-diphenyl-N-(pyridin-3-ylmethyl)propanamide
CID 690534
(3R)-3-(2-methylphenyl)-3-phenyl-N-(2-propan-2-ylsulfonylethyl)propanamide
CID 97284820
(3R)-3-(1-benzylindol-3-yl)-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 98926923
3-(1-methylindol-3-yl)-N-(pyridin-4-ylmethyl)-3-thiophen-3-ylpropanamide
CID 42774657
N-benzyl-3-hydroxy-3-phenylpropanamide
CID 15473661
(3S)-3-(1-benzylindol-3-yl)-3-(4-ethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 98524903

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-(2-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide (CID 45207071) is 3-(2-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-(2-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide is Cc1ccccc1C(CC(=O)NCc1ccncc1)c1ccccc1.
What is the InChIKey of 3-(2-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is IYWBVZAAQQWHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-17-7-5-6-10-20(17)21(19-8-3-2-4-9-19)15-22(25)24-16-18-11-13-23-14-12-18/h2-14,21H,15-16H2,1H3,(H,24,25).
What are the key properties of 3-(2-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
3-(2-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 330.43 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 45207071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).