N-[(1-hydroxycyclohexyl)methyl]propanamide

C10H19NO2 — CID 64866984

IUPACN-[(1-hydroxycyclohexyl)methyl]propanamide
SMILESCCC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C10H19NO2/c1-2-9(12)11-8-10(13)6-4-3-5-7-10/h13H,2-8H2,1H3,(H,11,12)
InChIKeyWSSGKOHWJWHMNK-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.21
Rot. Bonds3

About N-[(1-hydroxycyclohexyl)methyl]propanamide

N-[(1-hydroxycyclohexyl)methyl]propanamide (PubChem CID 64866984) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]propanamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]propanamide
PubChem CID64866984
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]propanamide
SMILESCCC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C10H19NO2/c1-2-9(12)11-8-10(13)6-4-3-5-7-10/h13H,2-8H2,1H3,(H,11,12)
InChIKeyWSSGKOHWJWHMNK-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]propanamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]propanamide (CID 64866984) is N-[(1-hydroxycyclohexyl)methyl]propanamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]propanamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]propanamide is CCC(=O)NCC1(O)CCCCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]propanamide?
The InChIKey is WSSGKOHWJWHMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-9(12)11-8-10(13)6-4-3-5-7-10/h13H,2-8H2,1H3,(H,11,12).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]propanamide?
N-[(1-hydroxycyclohexyl)methyl]propanamide has a molecular weight of 185.27 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]propanamide is sourced from PubChem (CID 64866984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).