N-[(4-hydroxycyclohexyl)methyl]pentanamide

C12H23NO2 — CID 106122642

IUPACN-[(4-hydroxycyclohexyl)methyl]pentanamide
SMILESCCCCC(=O)NCC1CCC(O)CC1
InChIInChI=1S/C12H23NO2/c1-2-3-4-12(15)13-9-10-5-7-11(14)8-6-10/h10-11,14H,2-9H2,1H3,(H,13,15)
InChIKeyRZCRKJRGFOORKE-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.84
Rot. Bonds5

About N-[(4-hydroxycyclohexyl)methyl]pentanamide

N-[(4-hydroxycyclohexyl)methyl]pentanamide (PubChem CID 106122642) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[(4-hydroxycyclohexyl)methyl]pentanamide.

Molecular Properties

Compound NameN-[(4-hydroxycyclohexyl)methyl]pentanamide
PubChem CID106122642
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-[(4-hydroxycyclohexyl)methyl]pentanamide
SMILESCCCCC(=O)NCC1CCC(O)CC1
InChIInChI=1S/C12H23NO2/c1-2-3-4-12(15)13-9-10-5-7-11(14)8-6-10/h10-11,14H,2-9H2,1H3,(H,13,15)
InChIKeyRZCRKJRGFOORKE-UHFFFAOYSA-N
XLogP1.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxycyclohexyl)methyl]pentanamide?
The IUPAC name of N-[(4-hydroxycyclohexyl)methyl]pentanamide (CID 106122642) is N-[(4-hydroxycyclohexyl)methyl]pentanamide.
What is the SMILES notation for N-[(4-hydroxycyclohexyl)methyl]pentanamide?
The canonical SMILES for N-[(4-hydroxycyclohexyl)methyl]pentanamide is CCCCC(=O)NCC1CCC(O)CC1.
What is the InChIKey of N-[(4-hydroxycyclohexyl)methyl]pentanamide?
The InChIKey is RZCRKJRGFOORKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-3-4-12(15)13-9-10-5-7-11(14)8-6-10/h10-11,14H,2-9H2,1H3,(H,13,15).
What are the key properties of N-[(4-hydroxycyclohexyl)methyl]pentanamide?
N-[(4-hydroxycyclohexyl)methyl]pentanamide has a molecular weight of 213.32 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxycyclohexyl)methyl]pentanamide is sourced from PubChem (CID 106122642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).