(2S)-2-methyl-N-(3-methylbutyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-2-carboxamide

C20H30N2O2 — CID 92734293

IUPAC(2S)-2-methyl-N-(3-methylbutyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-2-carboxamide
SMILESCC(C)CCNC(=O)[C@]1(C)CCC(=O)N1CCCc1ccccc1
InChIInChI=1S/C20H30N2O2/c1-16(2)12-14-21-19(24)20(3)13-11-18(23)22(20)15-7-10-17-8-5-4-6-9-17/h4-6,8-9,16H,7,10-15H2,1-3H3,(H,21,24)/t20-/m0/s1
InChIKeyRNAIYCMREDDPTG-FQEVSTJZSA-N
MW330.47 g/mol
LogP3.16
Rot. Bonds8

About (2S)-2-methyl-N-(3-methylbutyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-2-carboxamide

(2S)-2-methyl-N-(3-methylbutyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-2-carboxamide (PubChem CID 92734293) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is (2S)-2-methyl-N-(3-methylbutyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-(3-methylbutyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-2-carboxamide
PubChem CID92734293
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name(2S)-2-methyl-N-(3-methylbutyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-2-carboxamide
SMILESCC(C)CCNC(=O)[C@]1(C)CCC(=O)N1CCCc1ccccc1
InChIInChI=1S/C20H30N2O2/c1-16(2)12-14-21-19(24)20(3)13-11-18(23)22(20)15-7-10-17-8-5-4-6-9-17/h4-6,8-9,16H,7,10-15H2,1-3H3,(H,21,24)/t20-/m0/s1
InChIKeyRNAIYCMREDDPTG-FQEVSTJZSA-N
XLogP3.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-methyl-N-(3-methylbutyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 92734308
N-benzyl-2-methyl-5-oxo-1-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 46247148
2-methyl-N,1-bis(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
CID 46247100
(2R)-N-(2-methoxyethyl)-2-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 92731008
1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
CID 46247133
2-[2-(4-chlorophenyl)ethyl]-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide
CID 46259450
(2S)-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
CID 92734332
(2R)-N-benzyl-2-methyl-1-[2-(4-methylsulfanylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 92719936
ethyl 6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-5-(3-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 46260978
4-methyl-N-(3-methylbutyl)-2-oxo-3-(2-phenylethyl)-3-azabicyclo[5.4.1]dodeca-8,10-diene-4-carboxamide
CID 143555889
(2R)-N-benzyl-2-methyl-1-[2-(2-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 92734431
(2R)-N-benzyl-1-[2-(2-chlorophenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92734433

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-(3-methylbutyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-2-methyl-N-(3-methylbutyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-2-carboxamide (CID 92734293) is (2S)-2-methyl-N-(3-methylbutyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-2-methyl-N-(3-methylbutyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-2-methyl-N-(3-methylbutyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-2-carboxamide is CC(C)CCNC(=O)[C@]1(C)CCC(=O)N1CCCc1ccccc1.
What is the InChIKey of (2S)-2-methyl-N-(3-methylbutyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-2-carboxamide?
The InChIKey is RNAIYCMREDDPTG-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-16(2)12-14-21-19(24)20(3)13-11-18(23)22(20)15-7-10-17-8-5-4-6-9-17/h4-6,8-9,16H,7,10-15H2,1-3H3,(H,21,24)/t20-/m0/s1.
What are the key properties of (2S)-2-methyl-N-(3-methylbutyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-2-carboxamide?
(2S)-2-methyl-N-(3-methylbutyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-2-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-(3-methylbutyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 92734293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).