(3S)-3-amino-N-decyl-2-oxoazepane-4-carboxamide

C17H33N3O2 — CID 154298627

IUPAC(3S)-3-amino-N-decyl-2-oxoazepane-4-carboxamide
SMILESCCCCCCCCCCNC(=O)C1CCCNC(=O)[C@H]1N
InChIInChI=1S/C17H33N3O2/c1-2-3-4-5-6-7-8-9-12-19-16(21)14-11-10-13-20-17(22)15(14)18/h14-15H,2-13,18H2,1H3,(H,19,21)(H,20,22)/t14?,15-/m0/s1
InChIKeyMMVLPKWFMWGZRT-LOACHALJSA-N
MW311.47 g/mol
LogP2.10
Rot. Bonds10

About (3S)-3-amino-N-decyl-2-oxoazepane-4-carboxamide

(3S)-3-amino-N-decyl-2-oxoazepane-4-carboxamide (PubChem CID 154298627) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is (3S)-3-amino-N-decyl-2-oxoazepane-4-carboxamide.

Molecular Properties

Compound Name(3S)-3-amino-N-decyl-2-oxoazepane-4-carboxamide
PubChem CID154298627
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name(3S)-3-amino-N-decyl-2-oxoazepane-4-carboxamide
SMILESCCCCCCCCCCNC(=O)C1CCCNC(=O)[C@H]1N
InChIInChI=1S/C17H33N3O2/c1-2-3-4-5-6-7-8-9-12-19-16(21)14-11-10-13-20-17(22)15(14)18/h14-15H,2-13,18H2,1H3,(H,19,21)(H,20,22)/t14?,15-/m0/s1
InChIKeyMMVLPKWFMWGZRT-LOACHALJSA-N
XLogP2.10
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(dodecylamino)piperidin-2-one
CID 63492267
2-(decylcarbamoyl)cyclohexane-1-carboxylic acid
CID 5139462
3-(pentylamino)piperidin-2-one
CID 62093756
1-decyl-3-[(3S)-2-oxoazepan-3-yl]urea
CID 11392789
3-decanoylpiperidin-2-one
CID 23204992
2-oxo-N-pentylpiperidine-4-carboxamide
CID 110682108
4-amino-N-hexyloxolane-3-carboxamide
CID 66238816
3-dodecylpiperidin-2-one
CID 67992079
3-(pentylamino)pyrrolidin-2-one
CID 68641517
3-nonanoylazepan-2-one
CID 21226503
ethyl 2-(hexylcarbamoyl)cyclopropane-1-carboxylate
CID 102105177
(2S)-N-hexadecylpyrrolidin-1-ium-2-carboxamide chloride
CID 110188238

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-N-decyl-2-oxoazepane-4-carboxamide?
The IUPAC name of (3S)-3-amino-N-decyl-2-oxoazepane-4-carboxamide (CID 154298627) is (3S)-3-amino-N-decyl-2-oxoazepane-4-carboxamide.
What is the SMILES notation for (3S)-3-amino-N-decyl-2-oxoazepane-4-carboxamide?
The canonical SMILES for (3S)-3-amino-N-decyl-2-oxoazepane-4-carboxamide is CCCCCCCCCCNC(=O)C1CCCNC(=O)[C@H]1N.
What is the InChIKey of (3S)-3-amino-N-decyl-2-oxoazepane-4-carboxamide?
The InChIKey is MMVLPKWFMWGZRT-LOACHALJSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-2-3-4-5-6-7-8-9-12-19-16(21)14-11-10-13-20-17(22)15(14)18/h14-15H,2-13,18H2,1H3,(H,19,21)(H,20,22)/t14?,15-/m0/s1.
What are the key properties of (3S)-3-amino-N-decyl-2-oxoazepane-4-carboxamide?
(3S)-3-amino-N-decyl-2-oxoazepane-4-carboxamide has a molecular weight of 311.47 g/mol, XLogP of 2.10, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-N-decyl-2-oxoazepane-4-carboxamide is sourced from PubChem (CID 154298627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).