2-acetamido-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide

C13H24N2O3 — CID 112699726

IUPAC2-acetamido-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
SMILESCC(=O)NC(C)C(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C13H24N2O3/c1-10(15-11(2)17)12(18)14-8-13(9-16)6-4-3-5-7-13/h10,16H,3-9H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyLOICSOQLILSDIZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.57
Rot. Bonds5

About 2-acetamido-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide

2-acetamido-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide (PubChem CID 112699726) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-acetamido-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide.

Molecular Properties

Compound Name2-acetamido-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
PubChem CID112699726
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-acetamido-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
SMILESCC(=O)NC(C)C(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C13H24N2O3/c1-10(15-11(2)17)12(18)14-8-13(9-16)6-4-3-5-7-13/h10,16H,3-9H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyLOICSOQLILSDIZ-UHFFFAOYSA-N
XLogP0.57
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide
CID 115362386
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-sulfanylpropanamide
CID 107034279
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 115360089
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethylbutanamide
CID 115362678
(2S)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-pyrrolidin-1-ylpropanamide
CID 125439624
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea
CID 115362818
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(2-methylpropyl)propanamide
CID 113293813
2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 103966036
3-amino-4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-4-oxobutanoic acid
CID 103966705
(2R)-2-acetamido-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 51715596
2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide
CID 113293899
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide
CID 113293910

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide?
The IUPAC name of 2-acetamido-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide (CID 112699726) is 2-acetamido-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide.
What is the SMILES notation for 2-acetamido-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide?
The canonical SMILES for 2-acetamido-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide is CC(=O)NC(C)C(=O)NCC1(CO)CCCCC1.
What is the InChIKey of 2-acetamido-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide?
The InChIKey is LOICSOQLILSDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(15-11(2)17)12(18)14-8-13(9-16)6-4-3-5-7-13/h10,16H,3-9H2,1-2H3,(H,14,18)(H,15,17).
What are the key properties of 2-acetamido-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide?
2-acetamido-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide has a molecular weight of 256.35 g/mol, XLogP of 0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide is sourced from PubChem (CID 112699726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).