2-(5-methyl-2-propan-2-ylazepan-1-yl)-N-propylacetamide

C15H30N2O — CID 86966628

IUPAC2-(5-methyl-2-propan-2-ylazepan-1-yl)-N-propylacetamide
SMILESCCCNC(=O)CN1CCC(C)CCC1C(C)C
InChIInChI=1S/C15H30N2O/c1-5-9-16-15(18)11-17-10-8-13(4)6-7-14(17)12(2)3/h12-14H,5-11H2,1-4H3,(H,16,18)
InChIKeyKIPAHRNTRNREFU-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.66
Rot. Bonds5

About 2-(5-methyl-2-propan-2-ylazepan-1-yl)-N-propylacetamide

2-(5-methyl-2-propan-2-ylazepan-1-yl)-N-propylacetamide (PubChem CID 86966628) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylazepan-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylazepan-1-yl)-N-propylacetamide
PubChem CID86966628
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-(5-methyl-2-propan-2-ylazepan-1-yl)-N-propylacetamide
SMILESCCCNC(=O)CN1CCC(C)CCC1C(C)C
InChIInChI=1S/C15H30N2O/c1-5-9-16-15(18)11-17-10-8-13(4)6-7-14(17)12(2)3/h12-14H,5-11H2,1-4H3,(H,16,18)
InChIKeyKIPAHRNTRNREFU-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-methyl-2-propan-2-ylazepan-1-yl)-N-propylacetamide 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-(5-methyl-2-propan-2-ylazepan-1-yl)-N-propylacetamide?
The IUPAC name of 2-(5-methyl-2-propan-2-ylazepan-1-yl)-N-propylacetamide (CID 86966628) is 2-(5-methyl-2-propan-2-ylazepan-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylazepan-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylazepan-1-yl)-N-propylacetamide is CCCNC(=O)CN1CCC(C)CCC1C(C)C.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylazepan-1-yl)-N-propylacetamide?
The InChIKey is KIPAHRNTRNREFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-9-16-15(18)11-17-10-8-13(4)6-7-14(17)12(2)3/h12-14H,5-11H2,1-4H3,(H,16,18).
What are the key properties of 2-(5-methyl-2-propan-2-ylazepan-1-yl)-N-propylacetamide?
2-(5-methyl-2-propan-2-ylazepan-1-yl)-N-propylacetamide has a molecular weight of 254.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylazepan-1-yl)-N-propylacetamide is sourced from PubChem (CID 86966628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).