1-cycloheptyl-1-[4-(methoxymethyl)cyclohexyl]urea

C16H30N2O2 — CID 67489638

IUPAC1-cycloheptyl-1-[4-(methoxymethyl)cyclohexyl]urea
SMILESCOCC1CCC(N(C(N)=O)C2CCCCCC2)CC1
InChIInChI=1S/C16H30N2O2/c1-20-12-13-8-10-15(11-9-13)18(16(17)19)14-6-4-2-3-5-7-14/h13-15H,2-12H2,1H3,(H2,17,19)
InChIKeyFDGWBVPAZRLVAN-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.30
Rot. Bonds4

About 1-cycloheptyl-1-[4-(methoxymethyl)cyclohexyl]urea

1-cycloheptyl-1-[4-(methoxymethyl)cyclohexyl]urea (PubChem CID 67489638) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-cycloheptyl-1-[4-(methoxymethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-cycloheptyl-1-[4-(methoxymethyl)cyclohexyl]urea
PubChem CID67489638
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-cycloheptyl-1-[4-(methoxymethyl)cyclohexyl]urea
SMILESCOCC1CCC(N(C(N)=O)C2CCCCCC2)CC1
InChIInChI=1S/C16H30N2O2/c1-20-12-13-8-10-15(11-9-13)18(16(17)19)14-6-4-2-3-5-7-14/h13-15H,2-12H2,1H3,(H2,17,19)
InChIKeyFDGWBVPAZRLVAN-UHFFFAOYSA-N
XLogP3.30
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 141312120
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1-cyclohexylpropan-1-one;ethane;4-[[4-(methoxymethyl)cyclohexyl]methoxy]butanamide
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CID 154481896
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CID 19938783

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-1-[4-(methoxymethyl)cyclohexyl]urea?
The IUPAC name of 1-cycloheptyl-1-[4-(methoxymethyl)cyclohexyl]urea (CID 67489638) is 1-cycloheptyl-1-[4-(methoxymethyl)cyclohexyl]urea.
What is the SMILES notation for 1-cycloheptyl-1-[4-(methoxymethyl)cyclohexyl]urea?
The canonical SMILES for 1-cycloheptyl-1-[4-(methoxymethyl)cyclohexyl]urea is COCC1CCC(N(C(N)=O)C2CCCCCC2)CC1.
What is the InChIKey of 1-cycloheptyl-1-[4-(methoxymethyl)cyclohexyl]urea?
The InChIKey is FDGWBVPAZRLVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-20-12-13-8-10-15(11-9-13)18(16(17)19)14-6-4-2-3-5-7-14/h13-15H,2-12H2,1H3,(H2,17,19).
What are the key properties of 1-cycloheptyl-1-[4-(methoxymethyl)cyclohexyl]urea?
1-cycloheptyl-1-[4-(methoxymethyl)cyclohexyl]urea has a molecular weight of 282.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-1-[4-(methoxymethyl)cyclohexyl]urea is sourced from PubChem (CID 67489638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).