2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride

C18H29ClN2O — CID 3088593

IUPAC2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride
SMILESCc1cc(C)c(NC(=O)C(C)N2CCCCCC2)c(C)c1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-13-11-14(2)17(15(3)12-13)19-18(21)16(4)20-9-7-5-6-8-10-20;/h11-12,16H,5-10H2,1-4H3,(H,19,21);1H
InChIKeyFUZZCRAKVIUQND-UHFFFAOYSA-N
MW324.90 g/mol
LogP4.24
Rot. Bonds3

About 2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride

2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride (PubChem CID 3088593) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride
PubChem CID3088593
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC Name2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride
SMILESCc1cc(C)c(NC(=O)C(C)N2CCCCCC2)c(C)c1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-13-11-14(2)17(15(3)12-13)19-18(21)16(4)20-9-7-5-6-8-10-20;/h11-12,16H,5-10H2,1-4H3,(H,19,21);1H
InChIKeyFUZZCRAKVIUQND-UHFFFAOYSA-N
XLogP4.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride 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 2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride?
The IUPAC name of 2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride (CID 3088593) is 2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride?
The canonical SMILES for 2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride is Cc1cc(C)c(NC(=O)C(C)N2CCCCCC2)c(C)c1.Cl.
What is the InChIKey of 2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride?
The InChIKey is FUZZCRAKVIUQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-13-11-14(2)17(15(3)12-13)19-18(21)16(4)20-9-7-5-6-8-10-20;/h11-12,16H,5-10H2,1-4H3,(H,19,21);1H.
What are the key properties of 2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride?
2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 3088593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).