N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide

C17H24N2O2 — CID 3239373

IUPACN-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CCN1CC(C(=O)NCc2ccccc2)CC1=O
InChIInChI=1S/C17H24N2O2/c1-13(2)8-9-19-12-15(10-16(19)20)17(21)18-11-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,18,21)
InChIKeyPGZFWXSSSFNHJS-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.20
Rot. Bonds6

About N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide

N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 3239373) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID3239373
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CCN1CC(C(=O)NCc2ccccc2)CC1=O
InChIInChI=1S/C17H24N2O2/c1-13(2)8-9-19-12-15(10-16(19)20)17(21)18-11-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,18,21)
InChIKeyPGZFWXSSSFNHJS-UHFFFAOYSA-N
XLogP2.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 65926
1-(Phenylmethyl)-2,5-pyrrolidinedione
CID 95241
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CID 72949
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CID 79176
n,n'-Dibenzylmalonamide
CID 735256
Acetamide, N-benzyl-2-(1-pyrrolidinyl)-, hydrochloride
CID 2959243
Acetoacetobenzylamide
CID 70159
3-Benzylaminopropionamide
CID 85451
Smac peptido-mimetic 1
CID 11200722
3-[2-(2-cyano-(S)-pyrrolidin-1-yl)-2-oxoethylamino]-N-(1-phenylpropyl)propionamide
CID 11580945
N-Benzyl-3-[2-(2-cyano-(S)-pyrrolidin-1-yl)-2-oxoethylamino]-propionamide
CID 11645337
(R)-N-Benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 155213164

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide (CID 3239373) is N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide is CC(C)CCN1CC(C(=O)NCc2ccccc2)CC1=O.
What is the InChIKey of N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PGZFWXSSSFNHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(2)8-9-19-12-15(10-16(19)20)17(21)18-11-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,18,21).
What are the key properties of N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3239373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).