N-[(3S)-2-oxoazepan-3-yl]undec-10-enamide

C17H30N2O2 — CID 11197173

IUPACN-[(3S)-2-oxoazepan-3-yl]undec-10-enamide
SMILESC=CCCCCCCCCC(=O)N[C@H]1CCCCNC1=O
InChIInChI=1S/C17H30N2O2/c1-2-3-4-5-6-7-8-9-13-16(20)19-15-12-10-11-14-18-17(15)21/h2,15H,1,3-14H2,(H,18,21)(H,19,20)/t15-/m0/s1
InChIKeySFOIINVXLHXLKG-HNNXBMFYSA-N
MW294.44 g/mol
LogP3.08
Rot. Bonds10

About N-[(3S)-2-oxoazepan-3-yl]undec-10-enamide

N-[(3S)-2-oxoazepan-3-yl]undec-10-enamide (PubChem CID 11197173) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[(3S)-2-oxoazepan-3-yl]undec-10-enamide.

Molecular Properties

Compound NameN-[(3S)-2-oxoazepan-3-yl]undec-10-enamide
PubChem CID11197173
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-[(3S)-2-oxoazepan-3-yl]undec-10-enamide
SMILESC=CCCCCCCCCC(=O)N[C@H]1CCCCNC1=O
InChIInChI=1S/C17H30N2O2/c1-2-3-4-5-6-7-8-9-13-16(20)19-15-12-10-11-14-18-17(15)21/h2,15H,1,3-14H2,(H,18,21)(H,19,20)/t15-/m0/s1
InChIKeySFOIINVXLHXLKG-HNNXBMFYSA-N
XLogP3.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxoazepan-3-yl]undec-10-enamide?
The IUPAC name of N-[(3S)-2-oxoazepan-3-yl]undec-10-enamide (CID 11197173) is N-[(3S)-2-oxoazepan-3-yl]undec-10-enamide.
What is the SMILES notation for N-[(3S)-2-oxoazepan-3-yl]undec-10-enamide?
The canonical SMILES for N-[(3S)-2-oxoazepan-3-yl]undec-10-enamide is C=CCCCCCCCCC(=O)N[C@H]1CCCCNC1=O.
What is the InChIKey of N-[(3S)-2-oxoazepan-3-yl]undec-10-enamide?
The InChIKey is SFOIINVXLHXLKG-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-2-3-4-5-6-7-8-9-13-16(20)19-15-12-10-11-14-18-17(15)21/h2,15H,1,3-14H2,(H,18,21)(H,19,20)/t15-/m0/s1.
What are the key properties of N-[(3S)-2-oxoazepan-3-yl]undec-10-enamide?
N-[(3S)-2-oxoazepan-3-yl]undec-10-enamide has a molecular weight of 294.44 g/mol, XLogP of 3.08, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxoazepan-3-yl]undec-10-enamide is sourced from PubChem (CID 11197173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).