(3S)-3-[anilino(phenyl)methyl]-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one

C25H26N2O2 — CID 130404541

IUPAC(3S)-3-[anilino(phenyl)methyl]-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one
SMILESCOc1ccccc1N1CC[C@@](C)(C(Nc2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C25H26N2O2/c1-25(17-18-27(24(25)28)21-15-9-10-16-22(21)29-2)23(19-11-5-3-6-12-19)26-20-13-7-4-8-14-20/h3-16,23,26H,17-18H2,1-2H3/t23?,25-/m0/s1
InChIKeyVCOOYRGRGTVSIF-YNMFNDETSA-N
MW386.50 g/mol
LogP5.29
Rot. Bonds6

About (3S)-3-[anilino(phenyl)methyl]-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one

(3S)-3-[anilino(phenyl)methyl]-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one (PubChem CID 130404541) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is (3S)-3-[anilino(phenyl)methyl]-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[anilino(phenyl)methyl]-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one
PubChem CID130404541
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name(3S)-3-[anilino(phenyl)methyl]-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one
SMILESCOc1ccccc1N1CC[C@@](C)(C(Nc2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C25H26N2O2/c1-25(17-18-27(24(25)28)21-15-9-10-16-22(21)29-2)23(19-11-5-3-6-12-19)26-20-13-7-4-8-14-20/h3-16,23,26H,17-18H2,1-2H3/t23?,25-/m0/s1
InChIKeyVCOOYRGRGTVSIF-YNMFNDETSA-N
XLogP5.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(4-methoxybenzoyl)-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 130404559
3-(4-fluorobenzoyl)-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 130404550
(3S)-3-(4-fluorobenzoyl)-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 130404548
10-(2-methoxyphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64956352
1-(2-methoxyphenyl)-3-methyl-3-(naphthalene-2-carbonyl)pyrrolidin-2-one
CID 130404557
1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-one
CID 117016937
(3S)-3-[(E)-but-2-enyl]-1-(2-methoxyphenyl)-3-(4-methylbenzoyl)pyrrolidin-2-one
CID 130404538
5-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]pyrazine-2-carboxylic acid
CID 122054304
7,16-bis(2-methoxyphenyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 11016587
(1S,2R)-1,2-bis(2-methoxyphenyl)-N,N'-diphenylethane-1,2-diamine
CID 12543528
1-(2-methoxyphenyl)-3-(4-methylbenzoyl)-3-[3-(4-methylphenyl)prop-2-enyl]pyrrolidin-2-one
CID 130404571
4-(2-methoxyphenyl)-2-methyl-5-oxomorpholine-2-carboxylic acid
CID 115068184

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[anilino(phenyl)methyl]-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one?
The IUPAC name of (3S)-3-[anilino(phenyl)methyl]-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one (CID 130404541) is (3S)-3-[anilino(phenyl)methyl]-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[anilino(phenyl)methyl]-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-[anilino(phenyl)methyl]-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one is COc1ccccc1N1CC[C@@](C)(C(Nc2ccccc2)c2ccccc2)C1=O.
What is the InChIKey of (3S)-3-[anilino(phenyl)methyl]-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one?
The InChIKey is VCOOYRGRGTVSIF-YNMFNDETSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-25(17-18-27(24(25)28)21-15-9-10-16-22(21)29-2)23(19-11-5-3-6-12-19)26-20-13-7-4-8-14-20/h3-16,23,26H,17-18H2,1-2H3/t23?,25-/m0/s1.
What are the key properties of (3S)-3-[anilino(phenyl)methyl]-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one?
(3S)-3-[anilino(phenyl)methyl]-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one has a molecular weight of 386.50 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[anilino(phenyl)methyl]-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one is sourced from PubChem (CID 130404541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).