1-(4-benzyl-2-oxohexan-3-yl)pyrrolidine-2-carboxamide

C18H26N2O2 — CID 146015068

IUPAC1-(4-benzyl-2-oxohexan-3-yl)pyrrolidine-2-carboxamide
SMILESCCC(Cc1ccccc1)C(C(C)=O)N1CCCC1C(N)=O
InChIInChI=1S/C18H26N2O2/c1-3-15(12-14-8-5-4-6-9-14)17(13(2)21)20-11-7-10-16(20)18(19)22/h4-6,8-9,15-17H,3,7,10-12H2,1-2H3,(H2,19,22)
InChIKeyATFFJNHNWRZKQI-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.16
Rot. Bonds7

About 1-(4-benzyl-2-oxohexan-3-yl)pyrrolidine-2-carboxamide

1-(4-benzyl-2-oxohexan-3-yl)pyrrolidine-2-carboxamide (PubChem CID 146015068) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(4-benzyl-2-oxohexan-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-benzyl-2-oxohexan-3-yl)pyrrolidine-2-carboxamide
PubChem CID146015068
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-(4-benzyl-2-oxohexan-3-yl)pyrrolidine-2-carboxamide
SMILESCCC(Cc1ccccc1)C(C(C)=O)N1CCCC1C(N)=O
InChIInChI=1S/C18H26N2O2/c1-3-15(12-14-8-5-4-6-9-14)17(13(2)21)20-11-7-10-16(20)18(19)22/h4-6,8-9,15-17H,3,7,10-12H2,1-2H3,(H2,19,22)
InChIKeyATFFJNHNWRZKQI-UHFFFAOYSA-N
XLogP2.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3,3-dimethyl-1-[(2S)-2-(5-phenylpentanoyl)pyrrolidin-1-yl]pentane-1,2-dione
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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-2-oxohexan-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-benzyl-2-oxohexan-3-yl)pyrrolidine-2-carboxamide (CID 146015068) is 1-(4-benzyl-2-oxohexan-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-benzyl-2-oxohexan-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-benzyl-2-oxohexan-3-yl)pyrrolidine-2-carboxamide is CCC(Cc1ccccc1)C(C(C)=O)N1CCCC1C(N)=O.
What is the InChIKey of 1-(4-benzyl-2-oxohexan-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is ATFFJNHNWRZKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-15(12-14-8-5-4-6-9-14)17(13(2)21)20-11-7-10-16(20)18(19)22/h4-6,8-9,15-17H,3,7,10-12H2,1-2H3,(H2,19,22).
What are the key properties of 1-(4-benzyl-2-oxohexan-3-yl)pyrrolidine-2-carboxamide?
1-(4-benzyl-2-oxohexan-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-2-oxohexan-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 146015068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).