3-[bis(3-methoxyphenyl)methylamino]-1-methylpyrrolidin-2-one

C20H24N2O3 — CID 75377366

IUPAC3-[bis(3-methoxyphenyl)methylamino]-1-methylpyrrolidin-2-one
SMILESCOc1cccc(C(NC2CCN(C)C2=O)c2cccc(OC)c2)c1
InChIInChI=1S/C20H24N2O3/c1-22-11-10-18(20(22)23)21-19(14-6-4-8-16(12-14)24-2)15-7-5-9-17(13-15)25-3/h4-9,12-13,18-19,21H,10-11H2,1-3H3
InChIKeyXEOXCGWJFZTFHR-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.61
Rot. Bonds6

About 3-[bis(3-methoxyphenyl)methylamino]-1-methylpyrrolidin-2-one

3-[bis(3-methoxyphenyl)methylamino]-1-methylpyrrolidin-2-one (PubChem CID 75377366) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-[bis(3-methoxyphenyl)methylamino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[bis(3-methoxyphenyl)methylamino]-1-methylpyrrolidin-2-one
PubChem CID75377366
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-[bis(3-methoxyphenyl)methylamino]-1-methylpyrrolidin-2-one
SMILESCOc1cccc(C(NC2CCN(C)C2=O)c2cccc(OC)c2)c1
InChIInChI=1S/C20H24N2O3/c1-22-11-10-18(20(22)23)21-19(14-6-4-8-16(12-14)24-2)15-7-5-9-17(13-15)25-3/h4-9,12-13,18-19,21H,10-11H2,1-3H3
InChIKeyXEOXCGWJFZTFHR-UHFFFAOYSA-N
XLogP2.61
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-[1-(3,4-dimethoxyphenyl)propylamino]-1-methylpyrrolidin-2-one
CID 103902437
3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one
CID 81397497
1-methyl-3-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrolidin-2-one
CID 81407977
3-[1-(3-methoxyphenyl)ethylamino]oxolan-2-one
CID 43823969
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine
CID 81376076
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 51269183
1,3-dicyclopropyl-1,3-bis(3-methoxyphenyl)propan-2-one
CID 141244570
4-[2-amino-1-(3-methoxyphenyl)propyl]-1-methylpiperazin-2-one
CID 64680055
3-[1-(4-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one
CID 106253017
2-cyclobutyl-2-(3-methoxyphenyl)acetic acid
CID 82024093

Frequently Asked Questions

What is the IUPAC name of 3-[bis(3-methoxyphenyl)methylamino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[bis(3-methoxyphenyl)methylamino]-1-methylpyrrolidin-2-one (CID 75377366) is 3-[bis(3-methoxyphenyl)methylamino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[bis(3-methoxyphenyl)methylamino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[bis(3-methoxyphenyl)methylamino]-1-methylpyrrolidin-2-one is COc1cccc(C(NC2CCN(C)C2=O)c2cccc(OC)c2)c1.
What is the InChIKey of 3-[bis(3-methoxyphenyl)methylamino]-1-methylpyrrolidin-2-one?
The InChIKey is XEOXCGWJFZTFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-22-11-10-18(20(22)23)21-19(14-6-4-8-16(12-14)24-2)15-7-5-9-17(13-15)25-3/h4-9,12-13,18-19,21H,10-11H2,1-3H3.
What are the key properties of 3-[bis(3-methoxyphenyl)methylamino]-1-methylpyrrolidin-2-one?
3-[bis(3-methoxyphenyl)methylamino]-1-methylpyrrolidin-2-one has a molecular weight of 340.42 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(3-methoxyphenyl)methylamino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 75377366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).