3-(3-methylbutylamino)-1-(4-methylphenyl)pyrrolidin-2-one

C16H24N2O — CID 119139001

IUPAC3-(3-methylbutylamino)-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CCC(NCCC(C)C)C2=O)cc1
InChIInChI=1S/C16H24N2O/c1-12(2)8-10-17-15-9-11-18(16(15)19)14-6-4-13(3)5-7-14/h4-7,12,15,17H,8-11H2,1-3H3
InChIKeyVCFPXELLQFWBIN-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.74
Rot. Bonds5

About 3-(3-methylbutylamino)-1-(4-methylphenyl)pyrrolidin-2-one

3-(3-methylbutylamino)-1-(4-methylphenyl)pyrrolidin-2-one (PubChem CID 119139001) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(3-methylbutylamino)-1-(4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(3-methylbutylamino)-1-(4-methylphenyl)pyrrolidin-2-one
PubChem CID119139001
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-(3-methylbutylamino)-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CCC(NCCC(C)C)C2=O)cc1
InChIInChI=1S/C16H24N2O/c1-12(2)8-10-17-15-9-11-18(16(15)19)14-6-4-13(3)5-7-14/h4-7,12,15,17H,8-11H2,1-3H3
InChIKeyVCFPXELLQFWBIN-UHFFFAOYSA-N
XLogP2.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[2-(4-methylphenyl)ethylamino]-2-oxopyrrolidin-1-yl]benzenesulfinic acid
CID 58215408
1-(4-methylphenyl)-3-[(5-methylthiophen-2-yl)methylamino]pyrrolidin-2-one
CID 146125935
1-phenyl-3-(2-phenylpropylamino)pyrrolidin-2-one
CID 119127757
1-(2-chloro-5-methylphenyl)-3-(propylamino)pyrrolidin-2-one
CID 107636295
2-amino-2-(4-methylphenyl)-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 120668837
1-(4-fluoro-3-methylphenyl)-3-(propylamino)pyrrolidin-2-one
CID 62812484
(2S)-2-amino-3,3-dimethyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]butanamide;hydrochloride
CID 119802744
2-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]acetic acid
CID 115039420
N-(2-hydroxypropyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 110902995
1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea
CID 71838793
7-amino-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride
CID 119802718
3-[(6-fluoro-2-pyridinyl)amino]-1-(4-methylphenyl)pyrrolidin-2-one
CID 133353967

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutylamino)-1-(4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 3-(3-methylbutylamino)-1-(4-methylphenyl)pyrrolidin-2-one (CID 119139001) is 3-(3-methylbutylamino)-1-(4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(3-methylbutylamino)-1-(4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 3-(3-methylbutylamino)-1-(4-methylphenyl)pyrrolidin-2-one is Cc1ccc(N2CCC(NCCC(C)C)C2=O)cc1.
What is the InChIKey of 3-(3-methylbutylamino)-1-(4-methylphenyl)pyrrolidin-2-one?
The InChIKey is VCFPXELLQFWBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)8-10-17-15-9-11-18(16(15)19)14-6-4-13(3)5-7-14/h4-7,12,15,17H,8-11H2,1-3H3.
What are the key properties of 3-(3-methylbutylamino)-1-(4-methylphenyl)pyrrolidin-2-one?
3-(3-methylbutylamino)-1-(4-methylphenyl)pyrrolidin-2-one has a molecular weight of 260.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutylamino)-1-(4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 119139001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).