N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide

C19H30N2O2 — CID 51129060

IUPACN-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide
SMILESCCOC(C)C(=O)NCc1cccc(CN2CCCCCC2)c1
InChIInChI=1S/C19H30N2O2/c1-3-23-16(2)19(22)20-14-17-9-8-10-18(13-17)15-21-11-6-4-5-7-12-21/h8-10,13,16H,3-7,11-12,14-15H2,1-2H3,(H,20,22)
InChIKeyJXTIZJLFCIMKPE-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.10
Rot. Bonds7

About N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide

N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide (PubChem CID 51129060) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide.

Molecular Properties

Compound NameN-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide
PubChem CID51129060
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide
SMILESCCOC(C)C(=O)NCc1cccc(CN2CCCCCC2)c1
InChIInChI=1S/C19H30N2O2/c1-3-23-16(2)19(22)20-14-17-9-8-10-18(13-17)15-21-11-6-4-5-7-12-21/h8-10,13,16H,3-7,11-12,14-15H2,1-2H3,(H,20,22)
InChIKeyJXTIZJLFCIMKPE-UHFFFAOYSA-N
XLogP3.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide?
The IUPAC name of N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide (CID 51129060) is N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide.
What is the SMILES notation for N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide?
The canonical SMILES for N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide is CCOC(C)C(=O)NCc1cccc(CN2CCCCCC2)c1.
What is the InChIKey of N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide?
The InChIKey is JXTIZJLFCIMKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-3-23-16(2)19(22)20-14-17-9-8-10-18(13-17)15-21-11-6-4-5-7-12-21/h8-10,13,16H,3-7,11-12,14-15H2,1-2H3,(H,20,22).
What are the key properties of N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide?
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide has a molecular weight of 318.46 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide is sourced from PubChem (CID 51129060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).