(3R)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

C19H26N2O3 — CID 52907112

IUPAC(3R)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@H](C(=O)NC[C@](C)(O)C3CC3)CC2=O)cc1C
InChIInChI=1S/C19H26N2O3/c1-12-4-7-16(8-13(12)2)21-10-14(9-17(21)22)18(23)20-11-19(3,24)15-5-6-15/h4,7-8,14-15,24H,5-6,9-11H2,1-3H3,(H,20,23)/t14-,19+/m1/s1
InChIKeyQXARBESLJTVIPB-KUHUBIRLSA-N
MW330.43 g/mol
LogP1.93
Rot. Bonds5

About (3R)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 52907112) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (3R)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID52907112
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(3R)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@H](C(=O)NC[C@](C)(O)C3CC3)CC2=O)cc1C
InChIInChI=1S/C19H26N2O3/c1-12-4-7-16(8-13(12)2)21-10-14(9-17(21)22)18(23)20-11-19(3,24)15-5-6-15/h4,7-8,14-15,24H,5-6,9-11H2,1-3H3,(H,20,23)/t14-,19+/m1/s1
InChIKeyQXARBESLJTVIPB-KUHUBIRLSA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyanomethyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082306
N-tert-butyl-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6497633
(3R)-N-[(4-chlorophenyl)methyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393635
(3S)-N-[3-(diethylamino)propyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393210
(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 9393495
(3S)-1-(3,4-dimethylphenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]-5-oxopyrrolidine-3-carboxamide
CID 97038590
(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 848285
(3S)-1-(3,4-dimethylphenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]-5-oxopyrrolidine-3-carboxamide
CID 97038592
(3S)-N-[(2S)-butan-2-yl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393073
N-butan-2-yl-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082340
methyl (3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 804856
(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 40977070

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 52907112) is (3R)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2C[C@H](C(=O)NC[C@](C)(O)C3CC3)CC2=O)cc1C.
What is the InChIKey of (3R)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QXARBESLJTVIPB-KUHUBIRLSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-12-4-7-16(8-13(12)2)21-10-14(9-17(21)22)18(23)20-11-19(3,24)15-5-6-15/h4,7-8,14-15,24H,5-6,9-11H2,1-3H3,(H,20,23)/t14-,19+/m1/s1.
What are the key properties of (3R)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 52907112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).