1-cycloheptyl-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]urea

C18H34N2O2 — CID 141165551

IUPAC1-cycloheptyl-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]urea
SMILESCC(C)(C)OC1CCC(N(C(N)=O)C2CCCCCC2)CC1
InChIInChI=1S/C18H34N2O2/c1-18(2,3)22-16-12-10-15(11-13-16)20(17(19)21)14-8-6-4-5-7-9-14/h14-16H,4-13H2,1-3H3,(H2,19,21)
InChIKeyOSMCWDBEUVNFMN-UHFFFAOYSA-N
MW310.48 g/mol
LogP4.22
Rot. Bonds3

About 1-cycloheptyl-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]urea

1-cycloheptyl-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]urea (PubChem CID 141165551) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 1-cycloheptyl-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]urea.

Molecular Properties

Compound Name1-cycloheptyl-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]urea
PubChem CID141165551
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name1-cycloheptyl-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]urea
SMILESCC(C)(C)OC1CCC(N(C(N)=O)C2CCCCCC2)CC1
InChIInChI=1S/C18H34N2O2/c1-18(2,3)22-16-12-10-15(11-13-16)20(17(19)21)14-8-6-4-5-7-9-14/h14-16H,4-13H2,1-3H3,(H2,19,21)
InChIKeyOSMCWDBEUVNFMN-UHFFFAOYSA-N
XLogP4.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-1-(4-propoxycyclohexyl)urea
CID 141312120
1-cycloheptyl-1-[4-(methoxymethyl)cyclohexyl]urea
CID 67489638
1-cyclohexyl-1-[(3R)-oxolan-3-yl]urea
CID 67472879
tert-butyl N-carbamoyl-N-cyclopentylcarbamate
CID 141307871
tert-butyl N,N-di(cyclobutyl)carbamate
CID 162343429
N',N'-dicyclohexylpropanediamide;titanium(2+);dichloride
CID 173136057
1-cyclooctyl-1-methylurea
CID 126989312
ethyl 3-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]pyrrolidine-1-carboxylate
CID 143591983
1-cyclopropyl-1-(oxetan-3-yl)urea
CID 176909139
2-(tert-butylamino)-N,N-dicyclohexylacetamide
CID 78907368
(3Z)-3-amino-N,N-dicyclohexyl-3-hydroxyiminopropanamide
CID 43333100
ethyl formate;(2-methylpropan-2-yl)oxycyclohexane
CID 143998668

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]urea?
The IUPAC name of 1-cycloheptyl-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]urea (CID 141165551) is 1-cycloheptyl-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]urea.
What is the SMILES notation for 1-cycloheptyl-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]urea?
The canonical SMILES for 1-cycloheptyl-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]urea is CC(C)(C)OC1CCC(N(C(N)=O)C2CCCCCC2)CC1.
What is the InChIKey of 1-cycloheptyl-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]urea?
The InChIKey is OSMCWDBEUVNFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-18(2,3)22-16-12-10-15(11-13-16)20(17(19)21)14-8-6-4-5-7-9-14/h14-16H,4-13H2,1-3H3,(H2,19,21).
What are the key properties of 1-cycloheptyl-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]urea?
1-cycloheptyl-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]urea has a molecular weight of 310.48 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]urea is sourced from PubChem (CID 141165551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).