2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hex-4-enamide

C15H26N2O2 — CID 11173161

IUPAC2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hex-4-enamide
SMILESCC(C)=CCC(C)(C)C(=O)N[C@H]1CCCCNC1=O
InChIInChI=1S/C15H26N2O2/c1-11(2)8-9-15(3,4)14(19)17-12-7-5-6-10-16-13(12)18/h8,12H,5-7,9-10H2,1-4H3,(H,16,18)(H,17,19)/t12-/m0/s1
InChIKeyKDRJMWXDCQXBDT-LBPRGKRZSA-N
MW266.38 g/mol
LogP2.15
Rot. Bonds4

About 2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hex-4-enamide

2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hex-4-enamide (PubChem CID 11173161) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hex-4-enamide.

Molecular Properties

Compound Name2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hex-4-enamide
PubChem CID11173161
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hex-4-enamide
SMILESCC(C)=CCC(C)(C)C(=O)N[C@H]1CCCCNC1=O
InChIInChI=1S/C15H26N2O2/c1-11(2)8-9-15(3,4)14(19)17-12-7-5-6-10-16-13(12)18/h8,12H,5-7,9-10H2,1-4H3,(H,16,18)(H,17,19)/t12-/m0/s1
InChIKeyKDRJMWXDCQXBDT-LBPRGKRZSA-N
XLogP2.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hex-4-enamide?
The IUPAC name of 2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hex-4-enamide (CID 11173161) is 2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hex-4-enamide.
What is the SMILES notation for 2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hex-4-enamide?
The canonical SMILES for 2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hex-4-enamide is CC(C)=CCC(C)(C)C(=O)N[C@H]1CCCCNC1=O.
What is the InChIKey of 2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hex-4-enamide?
The InChIKey is KDRJMWXDCQXBDT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-11(2)8-9-15(3,4)14(19)17-12-7-5-6-10-16-13(12)18/h8,12H,5-7,9-10H2,1-4H3,(H,16,18)(H,17,19)/t12-/m0/s1.
What are the key properties of 2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hex-4-enamide?
2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hex-4-enamide has a molecular weight of 266.38 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hex-4-enamide is sourced from PubChem (CID 11173161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).