3-(undecan-6-ylamino)azepan-2-one

C17H34N2O — CID 43782053

IUPAC3-(undecan-6-ylamino)azepan-2-one
SMILESCCCCCC(CCCCC)NC1CCCCNC1=O
InChIInChI=1S/C17H34N2O/c1-3-5-7-11-15(12-8-6-4-2)19-16-13-9-10-14-18-17(16)20/h15-16,19H,3-14H2,1-2H3,(H,18,20)
InChIKeyCMBYZOFBKPWZPM-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.77
Rot. Bonds10

About 3-(undecan-6-ylamino)azepan-2-one

3-(undecan-6-ylamino)azepan-2-one (PubChem CID 43782053) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 3-(undecan-6-ylamino)azepan-2-one.

Molecular Properties

Compound Name3-(undecan-6-ylamino)azepan-2-one
PubChem CID43782053
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name3-(undecan-6-ylamino)azepan-2-one
SMILESCCCCCC(CCCCC)NC1CCCCNC1=O
InChIInChI=1S/C17H34N2O/c1-3-5-7-11-15(12-8-6-4-2)19-16-13-9-10-14-18-17(16)20/h15-16,19H,3-14H2,1-2H3,(H,18,20)
InChIKeyCMBYZOFBKPWZPM-UHFFFAOYSA-N
XLogP3.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(undecan-6-ylamino)piperidin-2-one
CID 55033580
3-(hexan-2-ylamino)piperidin-2-one
CID 62094120
3-(pentan-2-ylamino)piperidin-2-one
CID 62092466
3-(6-methylheptan-2-ylamino)azepan-2-one
CID 60719494
3-[(1-hydroxy-4-methylpentan-2-yl)amino]azepan-2-one
CID 61246146
3-(pentylamino)piperidin-2-one
CID 62093756
N-[(3S)-2-oxoazepan-3-yl]octadecanamide
CID 11246417
(2R)-2-ethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide
CID 11379810
3-(dodecylamino)piperidin-2-one
CID 63492267
(3R)-3-hydroxy-N-[(3R)-2-oxopiperidin-3-yl]hexadecanamide
CID 10595238
1-decyl-3-[(3S)-2-oxoazepan-3-yl]urea
CID 11392789
3-(but-3-yn-2-ylamino)azepan-2-one
CID 114416732

Frequently Asked Questions

What is the IUPAC name of 3-(undecan-6-ylamino)azepan-2-one?
The IUPAC name of 3-(undecan-6-ylamino)azepan-2-one (CID 43782053) is 3-(undecan-6-ylamino)azepan-2-one.
What is the SMILES notation for 3-(undecan-6-ylamino)azepan-2-one?
The canonical SMILES for 3-(undecan-6-ylamino)azepan-2-one is CCCCCC(CCCCC)NC1CCCCNC1=O.
What is the InChIKey of 3-(undecan-6-ylamino)azepan-2-one?
The InChIKey is CMBYZOFBKPWZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-3-5-7-11-15(12-8-6-4-2)19-16-13-9-10-14-18-17(16)20/h15-16,19H,3-14H2,1-2H3,(H,18,20).
What are the key properties of 3-(undecan-6-ylamino)azepan-2-one?
3-(undecan-6-ylamino)azepan-2-one has a molecular weight of 282.47 g/mol, XLogP of 3.77, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(undecan-6-ylamino)azepan-2-one is sourced from PubChem (CID 43782053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).