1-(2-methylpropyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide

C17H24N2O2 — CID 113182040

IUPAC1-(2-methylpropyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)NC(C)c2ccccc2)CC1=O
InChIInChI=1S/C17H24N2O2/c1-12(2)10-19-11-15(9-16(19)20)17(21)18-13(3)14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3,(H,18,21)
InChIKeyMEKAPAQBKRPYGW-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.37
Rot. Bonds5

About 1-(2-methylpropyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide

1-(2-methylpropyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 113182040) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(2-methylpropyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID113182040
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(2-methylpropyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)NC(C)c2ccccc2)CC1=O
InChIInChI=1S/C17H24N2O2/c1-12(2)10-19-11-15(9-16(19)20)17(21)18-13(3)14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3,(H,18,21)
InChIKeyMEKAPAQBKRPYGW-UHFFFAOYSA-N
XLogP2.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylbutyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 113185589
(3R)-1-(2-morpholin-4-ylethyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 95046533
N-[1-(4-methylphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 55577189
1-(2-methylpropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46109453
1-(2-methylpropyl)-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 46420018
(3S)-1-(2,6-diethylphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9056335
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
(3S)-1-(2-methylpropyl)-5-oxo-N-(3-phenylsulfanylpropyl)pyrrolidine-3-carboxamide
CID 37081636
(3S)-1-(2-methylpropyl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 174863774
4-hydroxy-2-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 61244580
(3R)-1-(2-methylphenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 41178267
(3S)-1-(2-methylpropyl)-5-oxo-N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide
CID 37352761

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methylpropyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide (CID 113182040) is 1-(2-methylpropyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methylpropyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methylpropyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide is CC(C)CN1CC(C(=O)NC(C)c2ccccc2)CC1=O.
What is the InChIKey of 1-(2-methylpropyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is MEKAPAQBKRPYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12(2)10-19-11-15(9-16(19)20)17(21)18-13(3)14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3,(H,18,21).
What are the key properties of 1-(2-methylpropyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide?
1-(2-methylpropyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113182040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).