(2S)-N-(3-methoxypropyl)-2-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide

C19H28N2O3 — CID 92730949

IUPAC(2S)-N-(3-methoxypropyl)-2-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide
SMILESCOCCCNC(=O)[C@]1(C)CCC(=O)N1c1ccc(C(C)C)cc1
InChIInChI=1S/C19H28N2O3/c1-14(2)15-6-8-16(9-7-15)21-17(22)10-11-19(21,3)18(23)20-12-5-13-24-4/h6-9,14H,5,10-13H2,1-4H3,(H,20,23)/t19-/m0/s1
InChIKeyOEEHOXWLYSXJKM-IBGZPJMESA-N
MW332.44 g/mol
LogP2.85
Rot. Bonds7

About (2S)-N-(3-methoxypropyl)-2-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide

(2S)-N-(3-methoxypropyl)-2-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide (PubChem CID 92730949) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (2S)-N-(3-methoxypropyl)-2-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-methoxypropyl)-2-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide
PubChem CID92730949
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(2S)-N-(3-methoxypropyl)-2-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide
SMILESCOCCCNC(=O)[C@]1(C)CCC(=O)N1c1ccc(C(C)C)cc1
InChIInChI=1S/C19H28N2O3/c1-14(2)15-6-8-16(9-7-15)21-17(22)10-11-19(21,3)18(23)20-12-5-13-24-4/h6-9,14H,5,10-13H2,1-4H3,(H,20,23)/t19-/m0/s1
InChIKeyOEEHOXWLYSXJKM-IBGZPJMESA-N
XLogP2.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dimethoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46363645
1-(2-ethylphenyl)-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46363647
(2R)-1-(4-ethoxyphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92730993
(6R)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739416
N-(3-methoxypropyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766794
N-(3-methoxypropyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 46109954
(3S)-N-(3-methoxypropyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 93018312
(2S)-1-[(2-methoxyphenyl)methyl]-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92730947
(2R)-1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92731000
1-(5-chloro-2,4-dimethoxyphenyl)-2-methyl-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide
CID 50808080
N-(3-ethoxypropyl)-1-(2-methoxyphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46363632
methyl (6R)-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-7-(4-propan-2-ylphenyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92750343

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methoxypropyl)-2-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-methoxypropyl)-2-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide (CID 92730949) is (2S)-N-(3-methoxypropyl)-2-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-methoxypropyl)-2-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-methoxypropyl)-2-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide is COCCCNC(=O)[C@]1(C)CCC(=O)N1c1ccc(C(C)C)cc1.
What is the InChIKey of (2S)-N-(3-methoxypropyl)-2-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is OEEHOXWLYSXJKM-IBGZPJMESA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14(2)15-6-8-16(9-7-15)21-17(22)10-11-19(21,3)18(23)20-12-5-13-24-4/h6-9,14H,5,10-13H2,1-4H3,(H,20,23)/t19-/m0/s1.
What are the key properties of (2S)-N-(3-methoxypropyl)-2-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide?
(2S)-N-(3-methoxypropyl)-2-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methoxypropyl)-2-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 92730949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).