2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide

C19H30N2O — CID 2827835

IUPAC2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide
SMILESCCC(C(=O)Nc1c(C)cc(C)cc1C)N1CCCCCC1
InChIInChI=1S/C19H30N2O/c1-5-17(21-10-8-6-7-9-11-21)19(22)20-18-15(3)12-14(2)13-16(18)4/h12-13,17H,5-11H2,1-4H3,(H,20,22)
InChIKeyPIRAZAGTGLMJDK-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.20
Rot. Bonds4

About 2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide

2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide (PubChem CID 2827835) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide
PubChem CID2827835
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide
SMILESCCC(C(=O)Nc1c(C)cc(C)cc1C)N1CCCCCC1
InChIInChI=1S/C19H30N2O/c1-5-17(21-10-8-6-7-9-11-21)19(22)20-18-15(3)12-14(2)13-16(18)4/h12-13,17H,5-11H2,1-4H3,(H,20,22)
InChIKeyPIRAZAGTGLMJDK-UHFFFAOYSA-N
XLogP4.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide with MolForge

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

Launch Full Analysis

Related Compounds

Lidocaine
CID 3676
Prilocaine
CID 4906
Monoethylglycinexylidide
CID 24415
Nefiracetam
CID 71157
Tocainide
CID 38945
Mepivacaine Hydrochloride
CID 66070
Prilocaine Hydrochloride
CID 92163
Levobupivacaine
CID 92253
Mepivacaine
CID 4062
Ropivacaine
CID 175805
Ropivacaine Hydrochloride
CID 175804
Lidocaine Hydrochloride
CID 6314

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide?
The IUPAC name of 2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide (CID 2827835) is 2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide is CCC(C(=O)Nc1c(C)cc(C)cc1C)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide?
The InChIKey is PIRAZAGTGLMJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-5-17(21-10-8-6-7-9-11-21)19(22)20-18-15(3)12-14(2)13-16(18)4/h12-13,17H,5-11H2,1-4H3,(H,20,22).
What are the key properties of 2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide?
2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide has a molecular weight of 302.46 g/mol, XLogP of 4.20, 4 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)butanamide is sourced from PubChem (CID 2827835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).