N-[1-(hydroxymethyl)cyclohexyl]-2-(prop-2-enylamino)acetamide

C12H22N2O2 — CID 79278936

IUPACN-[1-(hydroxymethyl)cyclohexyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC1(CO)CCCCC1
InChIInChI=1S/C12H22N2O2/c1-2-8-13-9-11(16)14-12(10-15)6-4-3-5-7-12/h2,13,15H,1,3-10H2,(H,14,16)
InChIKeyJOUGVDDWUQJUQI-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.57
Rot. Bonds6

About N-[1-(hydroxymethyl)cyclohexyl]-2-(prop-2-enylamino)acetamide

N-[1-(hydroxymethyl)cyclohexyl]-2-(prop-2-enylamino)acetamide (PubChem CID 79278936) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]-2-(prop-2-enylamino)acetamide
PubChem CID79278936
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC1(CO)CCCCC1
InChIInChI=1S/C12H22N2O2/c1-2-8-13-9-11(16)14-12(10-15)6-4-3-5-7-12/h2,13,15H,1,3-10H2,(H,14,16)
InChIKeyJOUGVDDWUQJUQI-UHFFFAOYSA-N
XLogP0.57
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[1-(hydroxymethyl)cyclohexyl]-2-(prop-2-enylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-methylcyclopentyl)-2-(prop-2-enylamino)acetamide
CID 79279826
1-[[[2-(prop-2-enylamino)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436444
N-[1-(hydroxymethyl)cyclobutyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 115878374
2-acetamido-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62519619
N-cyclooctyl-2-(prop-2-enylamino)acetamide
CID 78908315
2-cyclohexyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62518543
N-[1-(hydroxymethyl)cyclopentyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242231
3-amino-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 62553033
2-cyclopentyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62517307
6-amino-N-[1-(hydroxymethyl)cyclohexyl]hexanamide
CID 55086608
2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-prop-2-enylpropanamide
CID 55082317
4-[[1-(hydroxymethyl)cyclohexyl]amino]-4-oxobut-2-enoic acid
CID 76946471

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-2-(prop-2-enylamino)acetamide (CID 79278936) is N-[1-(hydroxymethyl)cyclohexyl]-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NC1(CO)CCCCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]-2-(prop-2-enylamino)acetamide?
The InChIKey is JOUGVDDWUQJUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-8-13-9-11(16)14-12(10-15)6-4-3-5-7-12/h2,13,15H,1,3-10H2,(H,14,16).
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]-2-(prop-2-enylamino)acetamide?
N-[1-(hydroxymethyl)cyclohexyl]-2-(prop-2-enylamino)acetamide has a molecular weight of 226.32 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79278936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).