N-[(2-hydroxycyclohexyl)methyl]propanamide

C10H19NO2 — CID 64927495

IUPACN-[(2-hydroxycyclohexyl)methyl]propanamide
SMILESCCC(=O)NCC1CCCCC1O
InChIInChI=1S/C10H19NO2/c1-2-10(13)11-7-8-5-3-4-6-9(8)12/h8-9,12H,2-7H2,1H3,(H,11,13)
InChIKeyYFKDTOKIQXDHOR-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.06
Rot. Bonds3

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

N-[(2-hydroxycyclohexyl)methyl]propanamide (PubChem CID 64927495) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]propanamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]propanamide
PubChem CID64927495
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]propanamide
SMILESCCC(=O)NCC1CCCCC1O
InChIInChI=1S/C10H19NO2/c1-2-10(13)11-7-8-5-3-4-6-9(8)12/h8-9,12H,2-7H2,1H3,(H,11,13)
InChIKeyYFKDTOKIQXDHOR-UHFFFAOYSA-N
XLogP1.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]propanamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]propanamide (CID 64927495) is N-[(2-hydroxycyclohexyl)methyl]propanamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]propanamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]propanamide is CCC(=O)NCC1CCCCC1O.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]propanamide?
The InChIKey is YFKDTOKIQXDHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-10(13)11-7-8-5-3-4-6-9(8)12/h8-9,12H,2-7H2,1H3,(H,11,13).
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]propanamide?
N-[(2-hydroxycyclohexyl)methyl]propanamide has a molecular weight of 185.27 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]propanamide is sourced from PubChem (CID 64927495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).