N-(3-propan-2-yloxypropyl)cyclohexanecarboxamide

C13H25NO2 — CID 19916602

IUPACN-(3-propan-2-yloxypropyl)cyclohexanecarboxamide
SMILESCC(C)OCCCNC(=O)C1CCCCC1
InChIInChI=1S/C13H25NO2/c1-11(2)16-10-6-9-14-13(15)12-7-4-3-5-8-12/h11-12H,3-10H2,1-2H3,(H,14,15)
InChIKeyOHVKMVISRXZRLL-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.50
Rot. Bonds6

About N-(3-propan-2-yloxypropyl)cyclohexanecarboxamide

N-(3-propan-2-yloxypropyl)cyclohexanecarboxamide (PubChem CID 19916602) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(3-propan-2-yloxypropyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(3-propan-2-yloxypropyl)cyclohexanecarboxamide
PubChem CID19916602
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(3-propan-2-yloxypropyl)cyclohexanecarboxamide
SMILESCC(C)OCCCNC(=O)C1CCCCC1
InChIInChI=1S/C13H25NO2/c1-11(2)16-10-6-9-14-13(15)12-7-4-3-5-8-12/h11-12H,3-10H2,1-2H3,(H,14,15)
InChIKeyOHVKMVISRXZRLL-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-propan-2-yloxypropyl)cyclohexanecarboxamide 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-propan-2-yloxypropyl)cyclohexanecarboxamide?
The IUPAC name of N-(3-propan-2-yloxypropyl)cyclohexanecarboxamide (CID 19916602) is N-(3-propan-2-yloxypropyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(3-propan-2-yloxypropyl)cyclohexanecarboxamide?
The canonical SMILES for N-(3-propan-2-yloxypropyl)cyclohexanecarboxamide is CC(C)OCCCNC(=O)C1CCCCC1.
What is the InChIKey of N-(3-propan-2-yloxypropyl)cyclohexanecarboxamide?
The InChIKey is OHVKMVISRXZRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(2)16-10-6-9-14-13(15)12-7-4-3-5-8-12/h11-12H,3-10H2,1-2H3,(H,14,15).
What are the key properties of N-(3-propan-2-yloxypropyl)cyclohexanecarboxamide?
N-(3-propan-2-yloxypropyl)cyclohexanecarboxamide has a molecular weight of 227.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxypropyl)cyclohexanecarboxamide is sourced from PubChem (CID 19916602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).