3-[1-(3,4-dimethoxyphenyl)propylamino]-1-methylpyrrolidin-2-one

C16H24N2O3 — CID 103902437

IUPAC3-[1-(3,4-dimethoxyphenyl)propylamino]-1-methylpyrrolidin-2-one
SMILESCCC(NC1CCN(C)C1=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H24N2O3/c1-5-12(17-13-8-9-18(2)16(13)19)11-6-7-14(20-3)15(10-11)21-4/h6-7,10,12-13,17H,5,8-9H2,1-4H3
InChIKeyFMJAYGKZYJFSBP-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.98
Rot. Bonds6

About 3-[1-(3,4-dimethoxyphenyl)propylamino]-1-methylpyrrolidin-2-one

3-[1-(3,4-dimethoxyphenyl)propylamino]-1-methylpyrrolidin-2-one (PubChem CID 103902437) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[1-(3,4-dimethoxyphenyl)propylamino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[1-(3,4-dimethoxyphenyl)propylamino]-1-methylpyrrolidin-2-one
PubChem CID103902437
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-[1-(3,4-dimethoxyphenyl)propylamino]-1-methylpyrrolidin-2-one
SMILESCCC(NC1CCN(C)C1=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H24N2O3/c1-5-12(17-13-8-9-18(2)16(13)19)11-6-7-14(20-3)15(10-11)21-4/h6-7,10,12-13,17H,5,8-9H2,1-4H3
InChIKeyFMJAYGKZYJFSBP-UHFFFAOYSA-N
XLogP1.98
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-[1-(4-methylphenyl)propylamino]pyrrolidin-2-one
CID 103902441
(3S)-1-cyclopropyl-3-[[(1R)-1-(4-methoxyphenyl)propyl]amino]pyrrolidin-2-one
CID 97333444
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one
CID 81373632
(3R)-3-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-1-methylpyrrolidin-2-one
CID 96567992
2-[1-(3,4-dimethoxyphenyl)propylamino]cyclopentane-1-carbonitrile
CID 62962195
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
3-[1-(4-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one
CID 106253017
[2-cyclobutyl-1-(3,4-dimethoxyphenyl)ethyl]hydrazine
CID 105192203
1-(3,4-dimethoxyphenyl)-N-[(3-methylcyclopentyl)methyl]propan-1-amine
CID 107411682
1-(3,4-dimethoxyphenyl)-N-[(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 103902141
N-[1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 75462412
(3S)-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 125042906

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4-dimethoxyphenyl)propylamino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[1-(3,4-dimethoxyphenyl)propylamino]-1-methylpyrrolidin-2-one (CID 103902437) is 3-[1-(3,4-dimethoxyphenyl)propylamino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[1-(3,4-dimethoxyphenyl)propylamino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[1-(3,4-dimethoxyphenyl)propylamino]-1-methylpyrrolidin-2-one is CCC(NC1CCN(C)C1=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 3-[1-(3,4-dimethoxyphenyl)propylamino]-1-methylpyrrolidin-2-one?
The InChIKey is FMJAYGKZYJFSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-12(17-13-8-9-18(2)16(13)19)11-6-7-14(20-3)15(10-11)21-4/h6-7,10,12-13,17H,5,8-9H2,1-4H3.
What are the key properties of 3-[1-(3,4-dimethoxyphenyl)propylamino]-1-methylpyrrolidin-2-one?
3-[1-(3,4-dimethoxyphenyl)propylamino]-1-methylpyrrolidin-2-one has a molecular weight of 292.38 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,4-dimethoxyphenyl)propylamino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 103902437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).