4-(4-butylphenyl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide

C19H28N2O2 — CID 119554642

IUPAC4-(4-butylphenyl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide
SMILESCCCCc1ccc(C(=O)CCC(=O)N(C)C2CCNC2)cc1
InChIInChI=1S/C19H28N2O2/c1-3-4-5-15-6-8-16(9-7-15)18(22)10-11-19(23)21(2)17-12-13-20-14-17/h6-9,17,20H,3-5,10-14H2,1-2H3
InChIKeyCAUHSZAAZKDLOD-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.81
Rot. Bonds8

About 4-(4-butylphenyl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide

4-(4-butylphenyl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide (PubChem CID 119554642) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 4-(4-butylphenyl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide.

Molecular Properties

Compound Name4-(4-butylphenyl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide
PubChem CID119554642
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name4-(4-butylphenyl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide
SMILESCCCCc1ccc(C(=O)CCC(=O)N(C)C2CCNC2)cc1
InChIInChI=1S/C19H28N2O2/c1-3-4-5-15-6-8-16(9-7-15)18(22)10-11-19(23)21(2)17-12-13-20-14-17/h6-9,17,20H,3-5,10-14H2,1-2H3
InChIKeyCAUHSZAAZKDLOD-UHFFFAOYSA-N
XLogP2.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119553689
N-methyl-4-(4-methylphenyl)-4-oxo-N-piperidin-4-ylbutanamide
CID 119442941
N-methyl-4-(4-methylphenyl)-4-oxo-N-piperidin-4-ylbutanamide;hydrochloride
CID 119442940
3-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60806501
N-methyl-4-oxo-4-(4-phenylphenyl)-N-piperidin-4-ylbutanamide
CID 119443079
N-methyl-4-(4-methylphenyl)-N-piperidin-4-ylbutanamide
CID 119443928
N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentylphenyl)butanamide;hydrochloride
CID 120553973
N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylbutanediamide
CID 119554222
4-(3,4-difluorophenyl)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119552359
N-methyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-pyrrolidin-3-ylbutanamide
CID 119553466
4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 21034256
N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylpentanediamide
CID 119550914

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylphenyl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide?
The IUPAC name of 4-(4-butylphenyl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide (CID 119554642) is 4-(4-butylphenyl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide.
What is the SMILES notation for 4-(4-butylphenyl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide?
The canonical SMILES for 4-(4-butylphenyl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide is CCCCc1ccc(C(=O)CCC(=O)N(C)C2CCNC2)cc1.
What is the InChIKey of 4-(4-butylphenyl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide?
The InChIKey is CAUHSZAAZKDLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-3-4-5-15-6-8-16(9-7-15)18(22)10-11-19(23)21(2)17-12-13-20-14-17/h6-9,17,20H,3-5,10-14H2,1-2H3.
What are the key properties of 4-(4-butylphenyl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide?
4-(4-butylphenyl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide has a molecular weight of 316.44 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylphenyl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide is sourced from PubChem (CID 119554642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).