1-(cyclohexylidenemethyl)-3-(2,2-diethoxyethyl)urea

C14H26N2O3 — CID 108912721

IUPAC1-(cyclohexylidenemethyl)-3-(2,2-diethoxyethyl)urea
SMILESCCOC(CNC(=O)NC=C1CCCCC1)OCC
InChIInChI=1S/C14H26N2O3/c1-3-18-13(19-4-2)11-16-14(17)15-10-12-8-6-5-7-9-12/h10,13H,3-9,11H2,1-2H3,(H2,15,16,17)
InChIKeyIRXZZJQONSNYQZ-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.53
Rot. Bonds7

About 1-(cyclohexylidenemethyl)-3-(2,2-diethoxyethyl)urea

1-(cyclohexylidenemethyl)-3-(2,2-diethoxyethyl)urea (PubChem CID 108912721) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-(cyclohexylidenemethyl)-3-(2,2-diethoxyethyl)urea.

Molecular Properties

Compound Name1-(cyclohexylidenemethyl)-3-(2,2-diethoxyethyl)urea
PubChem CID108912721
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-(cyclohexylidenemethyl)-3-(2,2-diethoxyethyl)urea
SMILESCCOC(CNC(=O)NC=C1CCCCC1)OCC
InChIInChI=1S/C14H26N2O3/c1-3-18-13(19-4-2)11-16-14(17)15-10-12-8-6-5-7-9-12/h10,13H,3-9,11H2,1-2H3,(H2,15,16,17)
InChIKeyIRXZZJQONSNYQZ-UHFFFAOYSA-N
XLogP2.53
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(cyclohexylidenemethyl)-3-propylurea
CID 108912374
2-(cyclohexylidenemethylcarbamoylamino)acetic acid
CID 108912438
N-(cyclohexylidenemethyl)-2-methylbutanamide
CID 91359968
ethyl 4-(cyclohexylidenemethylcarbamoylamino)piperidine-1-carboxylate
CID 108912633
1-(cyclopentylidenemethyl)-3-[2-(dimethylamino)ethyl]urea
CID 108913658
N,N'-bis(2,2-diethoxyethyl)pentanediamide
CID 141334867
1-cyclododecyl-3-(cyclopentylidenemethyl)urea
CID 108913552
1-(2,2-diethoxyethyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879692
1-(2,2-diethoxyethyl)-3-(3,5-dihydroxyphenyl)urea
CID 108895659
2-(2,2-diethoxyethylcarbamoylamino)oxyacetic acid
CID 91667036
1-[(4-chlorophenoxy)methyl]-3-(2,2-diethoxyethyl)urea
CID 108885416
1-[2-(4-bromophenyl)ethyl]-3-(cyclohexylidenemethyl)urea
CID 108912711

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylidenemethyl)-3-(2,2-diethoxyethyl)urea?
The IUPAC name of 1-(cyclohexylidenemethyl)-3-(2,2-diethoxyethyl)urea (CID 108912721) is 1-(cyclohexylidenemethyl)-3-(2,2-diethoxyethyl)urea.
What is the SMILES notation for 1-(cyclohexylidenemethyl)-3-(2,2-diethoxyethyl)urea?
The canonical SMILES for 1-(cyclohexylidenemethyl)-3-(2,2-diethoxyethyl)urea is CCOC(CNC(=O)NC=C1CCCCC1)OCC.
What is the InChIKey of 1-(cyclohexylidenemethyl)-3-(2,2-diethoxyethyl)urea?
The InChIKey is IRXZZJQONSNYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-18-13(19-4-2)11-16-14(17)15-10-12-8-6-5-7-9-12/h10,13H,3-9,11H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-(cyclohexylidenemethyl)-3-(2,2-diethoxyethyl)urea?
1-(cyclohexylidenemethyl)-3-(2,2-diethoxyethyl)urea has a molecular weight of 270.37 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylidenemethyl)-3-(2,2-diethoxyethyl)urea is sourced from PubChem (CID 108912721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).