2-[(1-hydroxycyclohexyl)methylamino]-N-propylpropanamide

C13H26N2O2 — CID 54953981

IUPAC2-[(1-hydroxycyclohexyl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCC1(O)CCCCC1
InChIInChI=1S/C13H26N2O2/c1-3-9-14-12(16)11(2)15-10-13(17)7-5-4-6-8-13/h11,15,17H,3-10H2,1-2H3,(H,14,16)
InChIKeyWRQOGLVWYGDEEC-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.19
Rot. Bonds6

About 2-[(1-hydroxycyclohexyl)methylamino]-N-propylpropanamide

2-[(1-hydroxycyclohexyl)methylamino]-N-propylpropanamide (PubChem CID 54953981) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[(1-hydroxycyclohexyl)methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(1-hydroxycyclohexyl)methylamino]-N-propylpropanamide
PubChem CID54953981
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[(1-hydroxycyclohexyl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCC1(O)CCCCC1
InChIInChI=1S/C13H26N2O2/c1-3-9-14-12(16)11(2)15-10-13(17)7-5-4-6-8-13/h11,15,17H,3-10H2,1-2H3,(H,14,16)
InChIKeyWRQOGLVWYGDEEC-UHFFFAOYSA-N
XLogP1.19
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(1-hydroxycyclohexyl)methylamino]-N-propylpropanamide 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-[(1-hydroxycyclohexyl)methylamino]-N-propylpropanamide?
The IUPAC name of 2-[(1-hydroxycyclohexyl)methylamino]-N-propylpropanamide (CID 54953981) is 2-[(1-hydroxycyclohexyl)methylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(1-hydroxycyclohexyl)methylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(1-hydroxycyclohexyl)methylamino]-N-propylpropanamide is CCCNC(=O)C(C)NCC1(O)CCCCC1.
What is the InChIKey of 2-[(1-hydroxycyclohexyl)methylamino]-N-propylpropanamide?
The InChIKey is WRQOGLVWYGDEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-9-14-12(16)11(2)15-10-13(17)7-5-4-6-8-13/h11,15,17H,3-10H2,1-2H3,(H,14,16).
What are the key properties of 2-[(1-hydroxycyclohexyl)methylamino]-N-propylpropanamide?
2-[(1-hydroxycyclohexyl)methylamino]-N-propylpropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxycyclohexyl)methylamino]-N-propylpropanamide is sourced from PubChem (CID 54953981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).