N-ethyl-3-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

C13H25NO2 — CID 10198466

IUPACN-ethyl-3-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCCNC(=O)C1CC(C)CC(O)C1C(C)C
InChIInChI=1S/C13H25NO2/c1-5-14-13(16)10-6-9(4)7-11(15)12(10)8(2)3/h8-12,15H,5-7H2,1-4H3,(H,14,16)
InChIKeyVDSJUEXANSYGEB-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.80
Rot. Bonds3

About N-ethyl-3-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

N-ethyl-3-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 10198466) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-ethyl-3-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID10198466
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-ethyl-3-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCCNC(=O)C1CC(C)CC(O)C1C(C)C
InChIInChI=1S/C13H25NO2/c1-5-14-13(16)10-6-9(4)7-11(15)12(10)8(2)3/h8-12,15H,5-7H2,1-4H3,(H,14,16)
InChIKeyVDSJUEXANSYGEB-UHFFFAOYSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-ethyl-3-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide 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-ethyl-3-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-ethyl-3-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 10198466) is N-ethyl-3-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-ethyl-3-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-ethyl-3-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is CCNC(=O)C1CC(C)CC(O)C1C(C)C.
What is the InChIKey of N-ethyl-3-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is VDSJUEXANSYGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-14-13(16)10-6-9(4)7-11(15)12(10)8(2)3/h8-12,15H,5-7H2,1-4H3,(H,14,16).
What are the key properties of N-ethyl-3-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
N-ethyl-3-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 10198466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).