(3R)-3-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-1-methylpyrrolidin-2-one

C20H24N2O2 — CID 96567992

IUPAC(3R)-3-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-1-methylpyrrolidin-2-one
SMILESCOc1ccc([C@H](N[C@@H]2CCN(C)C2=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-14-4-6-15(7-5-14)19(16-8-10-17(24-3)11-9-16)21-18-12-13-22(2)20(18)23/h4-11,18-19,21H,12-13H2,1-3H3/t18-,19-/m1/s1
InChIKeyDCULJYMWDWJHBT-RTBURBONSA-N
MW324.42 g/mol
LogP2.91
Rot. Bonds5

About (3R)-3-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-1-methylpyrrolidin-2-one

(3R)-3-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-1-methylpyrrolidin-2-one (PubChem CID 96567992) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (3R)-3-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-1-methylpyrrolidin-2-one
PubChem CID96567992
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(3R)-3-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-1-methylpyrrolidin-2-one
SMILESCOc1ccc([C@H](N[C@@H]2CCN(C)C2=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-14-4-6-15(7-5-14)19(16-8-10-17(24-3)11-9-16)21-18-12-13-22(2)20(18)23/h4-11,18-19,21H,12-13H2,1-3H3/t18-,19-/m1/s1
InChIKeyDCULJYMWDWJHBT-RTBURBONSA-N
XLogP2.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[bis(3-methoxyphenyl)methylamino]-1-methylpyrrolidin-2-one
CID 75377366
1-methyl-3-[1-(4-methylphenyl)propylamino]pyrrolidin-2-one
CID 103902441
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one
CID 81373632
(3S)-1-cyclopropyl-3-[[(1R)-1-(4-methoxyphenyl)propyl]amino]pyrrolidin-2-one
CID 97333444
3-[1-(3,4-dimethoxyphenyl)propylamino]-1-methylpyrrolidin-2-one
CID 103902437
3-[1-(4-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one
CID 106253017
1-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43481665
N-[bis(4-methoxyphenyl)methyl]piperidin-4-amine
CID 22111110
(2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-4-methylmorpholin-3-one
CID 95989438
methyl (2R)-2-cyclopropyl-2-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]acetate
CID 99777253
1-methyl-3-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrolidin-2-one
CID 81407977
1,3-dimethylpyrrolidin-2-one;methane;1,4-xylene
CID 159349569

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-1-methylpyrrolidin-2-one?
The IUPAC name of (3R)-3-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-1-methylpyrrolidin-2-one (CID 96567992) is (3R)-3-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-1-methylpyrrolidin-2-one is COc1ccc([C@H](N[C@@H]2CCN(C)C2=O)c2ccc(C)cc2)cc1.
What is the InChIKey of (3R)-3-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-1-methylpyrrolidin-2-one?
The InChIKey is DCULJYMWDWJHBT-RTBURBONSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-4-6-15(7-5-14)19(16-8-10-17(24-3)11-9-16)21-18-12-13-22(2)20(18)23/h4-11,18-19,21H,12-13H2,1-3H3/t18-,19-/m1/s1.
What are the key properties of (3R)-3-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-1-methylpyrrolidin-2-one?
(3R)-3-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-1-methylpyrrolidin-2-one has a molecular weight of 324.42 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 96567992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).