1-cyclohexyl-1-(4-propoxycyclohexyl)urea

C16H30N2O2 — CID 141312120

IUPAC1-cyclohexyl-1-(4-propoxycyclohexyl)urea
SMILESCCCOC1CCC(N(C(N)=O)C2CCCCC2)CC1
InChIInChI=1S/C16H30N2O2/c1-2-12-20-15-10-8-14(9-11-15)18(16(17)19)13-6-4-3-5-7-13/h13-15H,2-12H2,1H3,(H2,17,19)
InChIKeyHSWYIHRXCKXCPE-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.44
Rot. Bonds5

About 1-cyclohexyl-1-(4-propoxycyclohexyl)urea

1-cyclohexyl-1-(4-propoxycyclohexyl)urea (PubChem CID 141312120) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-cyclohexyl-1-(4-propoxycyclohexyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-1-(4-propoxycyclohexyl)urea
PubChem CID141312120
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-cyclohexyl-1-(4-propoxycyclohexyl)urea
SMILESCCCOC1CCC(N(C(N)=O)C2CCCCC2)CC1
InChIInChI=1S/C16H30N2O2/c1-2-12-20-15-10-8-14(9-11-15)18(16(17)19)13-6-4-3-5-7-13/h13-15H,2-12H2,1H3,(H2,17,19)
InChIKeyHSWYIHRXCKXCPE-UHFFFAOYSA-N
XLogP3.44
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]urea
CID 141165551
1-cycloheptyl-1-[4-(methoxymethyl)cyclohexyl]urea
CID 67489638
propoxycyclooctane
CID 54078990
butyl N,N-dicyclohexylcarbamate
CID 13416417
2-[3,5-bis[2-(dicyclohexylamino)-2-oxoethoxy]cyclohexyl]oxy-N,N-dicyclohexylacetamide
CID 86183778
3-cyclohexyloxy-N-ethyl-N-methylpropanamide
CID 67009773
hexyl 4-(dicyclohexylamino)-4-oxobutanoate
CID 91701072
ethyl 3-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]pyrrolidine-1-carboxylate
CID 143591983
4-propoxycyclohexane-1-carbonyl chloride
CID 13343846
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propoxycyclohexane
CID 118647955
N-cyclohexyl-4-propoxycyclohexan-1-amine;hydrochloride
CID 165430954
N-butyl-2-cyclohexyloxy-N-ethylacetamide
CID 87000824

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-(4-propoxycyclohexyl)urea?
The IUPAC name of 1-cyclohexyl-1-(4-propoxycyclohexyl)urea (CID 141312120) is 1-cyclohexyl-1-(4-propoxycyclohexyl)urea.
What is the SMILES notation for 1-cyclohexyl-1-(4-propoxycyclohexyl)urea?
The canonical SMILES for 1-cyclohexyl-1-(4-propoxycyclohexyl)urea is CCCOC1CCC(N(C(N)=O)C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-1-(4-propoxycyclohexyl)urea?
The InChIKey is HSWYIHRXCKXCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-2-12-20-15-10-8-14(9-11-15)18(16(17)19)13-6-4-3-5-7-13/h13-15H,2-12H2,1H3,(H2,17,19).
What are the key properties of 1-cyclohexyl-1-(4-propoxycyclohexyl)urea?
1-cyclohexyl-1-(4-propoxycyclohexyl)urea has a molecular weight of 282.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-(4-propoxycyclohexyl)urea is sourced from PubChem (CID 141312120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).