(2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-methylpentanamide

C15H28N2O2 — CID 95324140

IUPAC(2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-methylpentanamide
SMILESCCC[C@H](C)C(=O)NCCC(=O)N1CCCCCC1
InChIInChI=1S/C15H28N2O2/c1-3-8-13(2)15(19)16-10-9-14(18)17-11-6-4-5-7-12-17/h13H,3-12H2,1-2H3,(H,16,19)/t13-/m0/s1
InChIKeyJDZSJLDFZYQVTD-ZDUSSCGKSA-N
MW268.40 g/mol
LogP2.33
Rot. Bonds6

About (2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-methylpentanamide

(2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-methylpentanamide (PubChem CID 95324140) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-methylpentanamide.

Molecular Properties

Compound Name(2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-methylpentanamide
PubChem CID95324140
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name(2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-methylpentanamide
SMILESCCC[C@H](C)C(=O)NCCC(=O)N1CCCCCC1
InChIInChI=1S/C15H28N2O2/c1-3-8-13(2)15(19)16-10-9-14(18)17-11-6-4-5-7-12-17/h13H,3-12H2,1-2H3,(H,16,19)/t13-/m0/s1
InChIKeyJDZSJLDFZYQVTD-ZDUSSCGKSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-methylpentanamide?
The IUPAC name of (2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-methylpentanamide (CID 95324140) is (2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-methylpentanamide.
What is the SMILES notation for (2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-methylpentanamide?
The canonical SMILES for (2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-methylpentanamide is CCC[C@H](C)C(=O)NCCC(=O)N1CCCCCC1.
What is the InChIKey of (2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-methylpentanamide?
The InChIKey is JDZSJLDFZYQVTD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-8-13(2)15(19)16-10-9-14(18)17-11-6-4-5-7-12-17/h13H,3-12H2,1-2H3,(H,16,19)/t13-/m0/s1.
What are the key properties of (2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-methylpentanamide?
(2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-methylpentanamide has a molecular weight of 268.40 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-methylpentanamide is sourced from PubChem (CID 95324140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).