2-(azepan-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide

C15H28N2O — CID 78841599

IUPAC2-(azepan-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide
SMILESC=C(C)CN(CC)C(=O)C(C)N1CCCCCC1
InChIInChI=1S/C15H28N2O/c1-5-16(12-13(2)3)15(18)14(4)17-10-8-6-7-9-11-17/h14H,2,5-12H2,1,3-4H3
InChIKeyIUYLITHRKVSQKK-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.68
Rot. Bonds5

About 2-(azepan-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide

2-(azepan-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide (PubChem CID 78841599) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide
PubChem CID78841599
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-(azepan-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide
SMILESC=C(C)CN(CC)C(=O)C(C)N1CCCCCC1
InChIInChI=1S/C15H28N2O/c1-5-16(12-13(2)3)15(18)14(4)17-10-8-6-7-9-11-17/h14H,2,5-12H2,1,3-4H3
InChIKeyIUYLITHRKVSQKK-UHFFFAOYSA-N
XLogP2.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.68
H-Bond Donors ≤ 50
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-(azepan-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide?
The IUPAC name of 2-(azepan-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide (CID 78841599) is 2-(azepan-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide?
The canonical SMILES for 2-(azepan-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide is C=C(C)CN(CC)C(=O)C(C)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide?
The InChIKey is IUYLITHRKVSQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-5-16(12-13(2)3)15(18)14(4)17-10-8-6-7-9-11-17/h14H,2,5-12H2,1,3-4H3.
What are the key properties of 2-(azepan-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide?
2-(azepan-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide has a molecular weight of 252.40 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide is sourced from PubChem (CID 78841599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).