acetic acid;3-cyclohexyl-1,1-dimethylurea;ethane

C13H28N2O3 — CID 142518956

IUPACacetic acid;3-cyclohexyl-1,1-dimethylurea;ethane
SMILESCC.CC(=O)O.CN(C)C(=O)NC1CCCCC1
InChIInChI=1S/C9H18N2O.C2H4O2.C2H6/c1-11(2)9(12)10-8-6-4-3-5-7-8;1-2(3)4;1-2/h8H,3-7H2,1-2H3,(H,10,12);1H3,(H,3,4);1-2H3
InChIKeyCOVFXGWIZCEHIL-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.71
Rot. Bonds1

About acetic acid;3-cyclohexyl-1,1-dimethylurea;ethane

acetic acid;3-cyclohexyl-1,1-dimethylurea;ethane (PubChem CID 142518956) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is acetic acid;3-cyclohexyl-1,1-dimethylurea;ethane.

Molecular Properties

Compound Nameacetic acid;3-cyclohexyl-1,1-dimethylurea;ethane
PubChem CID142518956
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Nameacetic acid;3-cyclohexyl-1,1-dimethylurea;ethane
SMILESCC.CC(=O)O.CN(C)C(=O)NC1CCCCC1
InChIInChI=1S/C9H18N2O.C2H4O2.C2H6/c1-11(2)9(12)10-8-6-4-3-5-7-8;1-2(3)4;1-2/h8H,3-7H2,1-2H3,(H,10,12);1H3,(H,3,4);1-2H3
InChIKeyCOVFXGWIZCEHIL-UHFFFAOYSA-N
XLogP2.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze acetic acid;3-cyclohexyl-1,1-dimethylurea;ethane 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

1-cyclohexyl-3-(dimethylamino)urea
CID 3617823
3-cyclobutyl-1-hydroxy-1-methylurea
CID 130900785
1,1-dimethyl-3-(4-propan-2-ylcyclohexyl)urea
CID 127484817
4-(cyclohexylamino)-3-methylpent-3-en-2-one
CID 74047718
1-N-cyclohexyl-2-N,2-N-dimethylcyclohex-4-ene-1,2-dicarboxamide
CID 23474990
2-[bis(dimethylamino)methylidene]-N,N'-dicyclohexylpropanediamide
CID 100938462
N-cyclohexyl-2-oxopropanamide
CID 12861109
[acetyl(cyclohexylcarbamoyl)amino] N-cyclohexylcarbamate
CID 13228809
1-(4-aminocyclohexyl)-3-cyclohexyl-1-methylurea
CID 79121066
3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea
CID 115597933
1,1-dimethyl-3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea
CID 121218221
cyclohexylcarbamic acid;hydrate
CID 172719994

Frequently Asked Questions

What is the IUPAC name of acetic acid;3-cyclohexyl-1,1-dimethylurea;ethane?
The IUPAC name of acetic acid;3-cyclohexyl-1,1-dimethylurea;ethane (CID 142518956) is acetic acid;3-cyclohexyl-1,1-dimethylurea;ethane.
What is the SMILES notation for acetic acid;3-cyclohexyl-1,1-dimethylurea;ethane?
The canonical SMILES for acetic acid;3-cyclohexyl-1,1-dimethylurea;ethane is CC.CC(=O)O.CN(C)C(=O)NC1CCCCC1.
What is the InChIKey of acetic acid;3-cyclohexyl-1,1-dimethylurea;ethane?
The InChIKey is COVFXGWIZCEHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C2H4O2.C2H6/c1-11(2)9(12)10-8-6-4-3-5-7-8;1-2(3)4;1-2/h8H,3-7H2,1-2H3,(H,10,12);1H3,(H,3,4);1-2H3.
What are the key properties of acetic acid;3-cyclohexyl-1,1-dimethylurea;ethane?
acetic acid;3-cyclohexyl-1,1-dimethylurea;ethane has a molecular weight of 260.38 g/mol, XLogP of 2.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-cyclohexyl-1,1-dimethylurea;ethane is sourced from PubChem (CID 142518956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).