(3S)-1-butyl-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C18H26N2O2 — CID 9398194

IUPAC(3S)-1-butyl-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C[C@@H](C(=O)N(CC)c2ccccc2C)CC1=O
InChIInChI=1S/C18H26N2O2/c1-4-6-11-19-13-15(12-17(19)21)18(22)20(5-2)16-10-8-7-9-14(16)3/h7-10,15H,4-6,11-13H2,1-3H3/t15-/m0/s1
InChIKeyMUIQNDITTJLFCC-HNNXBMFYSA-N
MW302.42 g/mol
LogP3.00
Rot. Bonds6

About (3S)-1-butyl-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-butyl-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 9398194) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (3S)-1-butyl-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-butyl-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID9398194
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(3S)-1-butyl-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C[C@@H](C(=O)N(CC)c2ccccc2C)CC1=O
InChIInChI=1S/C18H26N2O2/c1-4-6-11-19-13-15(12-17(19)21)18(22)20(5-2)16-10-8-7-9-14(16)3/h7-10,15H,4-6,11-13H2,1-3H3/t15-/m0/s1
InChIKeyMUIQNDITTJLFCC-HNNXBMFYSA-N
XLogP3.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(2-methylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080533
N-ethyl-1-(2-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43052325
N-benzyl-N-ethyl-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 113185676
1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46569608
N-benzyl-N-methyl-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 46110151
1-(2,4-dimethoxyphenyl)-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 75870162
N-butyl-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 70296770
(3S)-1-butyl-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9398612
1-butyl-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 17082660
(3S)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 7711163
sodium 1-butyl-5-oxopyrrolidine-3-carboxylate
CID 23662544
(3R)-1-butyl-N,N-bis(2-cyanoethyl)-5-oxopyrrolidine-3-carboxamide
CID 9399767

Frequently Asked Questions

What is the IUPAC name of (3S)-1-butyl-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-butyl-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 9398194) is (3S)-1-butyl-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-butyl-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-butyl-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is CCCCN1C[C@@H](C(=O)N(CC)c2ccccc2C)CC1=O.
What is the InChIKey of (3S)-1-butyl-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MUIQNDITTJLFCC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-4-6-11-19-13-15(12-17(19)21)18(22)20(5-2)16-10-8-7-9-14(16)3/h7-10,15H,4-6,11-13H2,1-3H3/t15-/m0/s1.
What are the key properties of (3S)-1-butyl-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-butyl-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-butyl-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9398194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).