1-benzyl-N-butan-2-yl-5-oxopyrrolidine-2-carboxamide

C16H22N2O2 — CID 110387564

IUPAC1-benzyl-N-butan-2-yl-5-oxopyrrolidine-2-carboxamide
SMILESCCC(C)NC(=O)C1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C16H22N2O2/c1-3-12(2)17-16(20)14-9-10-15(19)18(14)11-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,17,20)
InChIKeyHNRNYOSXHDKHJD-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.09
Rot. Bonds5

About 1-benzyl-N-butan-2-yl-5-oxopyrrolidine-2-carboxamide

1-benzyl-N-butan-2-yl-5-oxopyrrolidine-2-carboxamide (PubChem CID 110387564) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-benzyl-N-butan-2-yl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-butan-2-yl-5-oxopyrrolidine-2-carboxamide
PubChem CID110387564
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-benzyl-N-butan-2-yl-5-oxopyrrolidine-2-carboxamide
SMILESCCC(C)NC(=O)C1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C16H22N2O2/c1-3-12(2)17-16(20)14-9-10-15(19)18(14)11-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,17,20)
InChIKeyHNRNYOSXHDKHJD-UHFFFAOYSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-benzyl-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 7101898
(2S)-2-[[(2R)-1-benzyl-5-oxopyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
CID 12043818
N-butan-2-yl-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110406874
1-benzyl-N-(2-methyl-3-phenylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 110608606
ethyl 3-[[(2R)-1-benzyl-5-oxopyrrolidine-2-carbonyl]amino]-2-hydroxy-4-phenylbutanoate
CID 66644659
(2S)-1-[(4-chlorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 100815825
4-[(2S)-2-[[(2S)-1-benzyl-5-oxopyrrolidine-2-carbonyl]amino]-3-methoxy-3-oxopropyl]benzoic acid
CID 102022444
(2S)-2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]propanoic acid
CID 119238214
1-benzyl-N-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110387648
1-benzyl-5-oxo-N-(3-phenylbutyl)pyrrolidine-2-carboxamide
CID 110410559
1-benzyl-N-[3,4-dioxo-1-phenyl-4-(propan-2-yloxyamino)butan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 53257551
N-[4-anilino-4-(3,4-dioxocyclohexa-1,5-dien-1-yl)butan-2-yl]-1-benzyl-5-oxopyrrolidine-2-carboxamide
CID 66645000

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-butan-2-yl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-benzyl-N-butan-2-yl-5-oxopyrrolidine-2-carboxamide (CID 110387564) is 1-benzyl-N-butan-2-yl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-butan-2-yl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-butan-2-yl-5-oxopyrrolidine-2-carboxamide is CCC(C)NC(=O)C1CCC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-butan-2-yl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is HNRNYOSXHDKHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-12(2)17-16(20)14-9-10-15(19)18(14)11-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,17,20).
What are the key properties of 1-benzyl-N-butan-2-yl-5-oxopyrrolidine-2-carboxamide?
1-benzyl-N-butan-2-yl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-butan-2-yl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110387564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).