N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]butanamide

C21H22N2O2 — CID 942495

IUPACN-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]butanamide
SMILESCCCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccc(C)cc1
InChIInChI=1S/C21H22N2O2/c1-3-6-21(25)23(17-11-9-15(2)10-12-17)14-16-13-20(24)22-19-8-5-4-7-18(16)19/h4-5,7-13H,3,6,14H2,1-2H3,(H,22,24)
InChIKeyIJTVWGZYAASIGN-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.17
Rot. Bonds5

About N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]butanamide

N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]butanamide (PubChem CID 942495) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]butanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]butanamide
PubChem CID942495
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]butanamide
SMILESCCCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccc(C)cc1
InChIInChI=1S/C21H22N2O2/c1-3-6-21(25)23(17-11-9-15(2)10-12-17)14-16-13-20(24)22-19-8-5-4-7-18(16)19/h4-5,7-13H,3,6,14H2,1-2H3,(H,22,24)
InChIKeyIJTVWGZYAASIGN-UHFFFAOYSA-N
XLogP4.17
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]butanamide?
The IUPAC name of N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]butanamide (CID 942495) is N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]butanamide.
What is the SMILES notation for N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]butanamide?
The canonical SMILES for N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]butanamide is CCCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]butanamide?
The InChIKey is IJTVWGZYAASIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-3-6-21(25)23(17-11-9-15(2)10-12-17)14-16-13-20(24)22-19-8-5-4-7-18(16)19/h4-5,7-13H,3,6,14H2,1-2H3,(H,22,24).
What are the key properties of N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]butanamide?
N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]butanamide has a molecular weight of 334.42 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]butanamide is sourced from PubChem (CID 942495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).