2-cyclopropyl-N-[(4-hydroxycyclohexyl)methyl]propanamide

C13H23NO2 — CID 106121481

IUPAC2-cyclopropyl-N-[(4-hydroxycyclohexyl)methyl]propanamide
SMILESCC(C(=O)NCC1CCC(O)CC1)C1CC1
InChIInChI=1S/C13H23NO2/c1-9(11-4-5-11)13(16)14-8-10-2-6-12(15)7-3-10/h9-12,15H,2-8H2,1H3,(H,14,16)
InChIKeyWVGAHZOGOJRNIN-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.70
Rot. Bonds4

About 2-cyclopropyl-N-[(4-hydroxycyclohexyl)methyl]propanamide

2-cyclopropyl-N-[(4-hydroxycyclohexyl)methyl]propanamide (PubChem CID 106121481) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(4-hydroxycyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(4-hydroxycyclohexyl)methyl]propanamide
PubChem CID106121481
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-cyclopropyl-N-[(4-hydroxycyclohexyl)methyl]propanamide
SMILESCC(C(=O)NCC1CCC(O)CC1)C1CC1
InChIInChI=1S/C13H23NO2/c1-9(11-4-5-11)13(16)14-8-10-2-6-12(15)7-3-10/h9-12,15H,2-8H2,1H3,(H,14,16)
InChIKeyWVGAHZOGOJRNIN-UHFFFAOYSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(4-hydroxycyclohexyl)methyl]propanamide?
The IUPAC name of 2-cyclopropyl-N-[(4-hydroxycyclohexyl)methyl]propanamide (CID 106121481) is 2-cyclopropyl-N-[(4-hydroxycyclohexyl)methyl]propanamide.
What is the SMILES notation for 2-cyclopropyl-N-[(4-hydroxycyclohexyl)methyl]propanamide?
The canonical SMILES for 2-cyclopropyl-N-[(4-hydroxycyclohexyl)methyl]propanamide is CC(C(=O)NCC1CCC(O)CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[(4-hydroxycyclohexyl)methyl]propanamide?
The InChIKey is WVGAHZOGOJRNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-9(11-4-5-11)13(16)14-8-10-2-6-12(15)7-3-10/h9-12,15H,2-8H2,1H3,(H,14,16).
What are the key properties of 2-cyclopropyl-N-[(4-hydroxycyclohexyl)methyl]propanamide?
2-cyclopropyl-N-[(4-hydroxycyclohexyl)methyl]propanamide has a molecular weight of 225.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(4-hydroxycyclohexyl)methyl]propanamide is sourced from PubChem (CID 106121481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).