4-(4-methylphenyl)-4-oxo-N-phenyl-N-(pyridin-3-ylmethyl)butanamide

C23H22N2O2 — CID 110618743

IUPAC4-(4-methylphenyl)-4-oxo-N-phenyl-N-(pyridin-3-ylmethyl)butanamide
SMILESCc1ccc(C(=O)CCC(=O)N(Cc2cccnc2)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O2/c1-18-9-11-20(12-10-18)22(26)13-14-23(27)25(21-7-3-2-4-8-21)17-19-6-5-15-24-16-19/h2-12,15-16H,13-14,17H2,1H3
InChIKeyBUCUSIGJAZRZKF-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.59
Rot. Bonds7

About 4-(4-methylphenyl)-4-oxo-N-phenyl-N-(pyridin-3-ylmethyl)butanamide

4-(4-methylphenyl)-4-oxo-N-phenyl-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 110618743) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-(4-methylphenyl)-4-oxo-N-phenyl-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-4-oxo-N-phenyl-N-(pyridin-3-ylmethyl)butanamide
PubChem CID110618743
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name4-(4-methylphenyl)-4-oxo-N-phenyl-N-(pyridin-3-ylmethyl)butanamide
SMILESCc1ccc(C(=O)CCC(=O)N(Cc2cccnc2)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O2/c1-18-9-11-20(12-10-18)22(26)13-14-23(27)25(21-7-3-2-4-8-21)17-19-6-5-15-24-16-19/h2-12,15-16H,13-14,17H2,1H3
InChIKeyBUCUSIGJAZRZKF-UHFFFAOYSA-N
XLogP4.59
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 39368333
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 110360399
N-phenyl-4-pyridin-3-yl-N-(pyridin-3-ylmethyl)butanamide
CID 110613065
3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 110360430
1-benzyl-3-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylurea
CID 108874633
1-(4-methylphenyl)-3-(pyridin-3-ylmethylamino)propan-1-one
CID 94270981
3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 110426430
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 110360406
N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756627
3-(2-methylpropyl)-1-phenyl-1-(pyridin-3-ylmethyl)urea
CID 110426401
3-morpholin-4-ylsulfonyl-N-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 110618751
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-N-(pyridin-3-ylmethyl)butanamide
CID 110426389

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-4-oxo-N-phenyl-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 4-(4-methylphenyl)-4-oxo-N-phenyl-N-(pyridin-3-ylmethyl)butanamide (CID 110618743) is 4-(4-methylphenyl)-4-oxo-N-phenyl-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 4-(4-methylphenyl)-4-oxo-N-phenyl-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 4-(4-methylphenyl)-4-oxo-N-phenyl-N-(pyridin-3-ylmethyl)butanamide is Cc1ccc(C(=O)CCC(=O)N(Cc2cccnc2)c2ccccc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-4-oxo-N-phenyl-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is BUCUSIGJAZRZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-18-9-11-20(12-10-18)22(26)13-14-23(27)25(21-7-3-2-4-8-21)17-19-6-5-15-24-16-19/h2-12,15-16H,13-14,17H2,1H3.
What are the key properties of 4-(4-methylphenyl)-4-oxo-N-phenyl-N-(pyridin-3-ylmethyl)butanamide?
4-(4-methylphenyl)-4-oxo-N-phenyl-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 358.44 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-4-oxo-N-phenyl-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 110618743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).