1-[(3-hydroxycyclohexyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea

C16H30N2O2 — CID 111505319

IUPAC1-[(3-hydroxycyclohexyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea
SMILESCC1CCCCC1CNC(=O)NCC1CCCC(O)C1
InChIInChI=1S/C16H30N2O2/c1-12-5-2-3-7-14(12)11-18-16(20)17-10-13-6-4-8-15(19)9-13/h12-15,19H,2-11H2,1H3,(H2,17,18,20)
InChIKeyVKQUNHKMFQGKQE-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.66
Rot. Bonds4

About 1-[(3-hydroxycyclohexyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea

1-[(3-hydroxycyclohexyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea (PubChem CID 111505319) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[(3-hydroxycyclohexyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-[(3-hydroxycyclohexyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea
PubChem CID111505319
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-[(3-hydroxycyclohexyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea
SMILESCC1CCCCC1CNC(=O)NCC1CCCC(O)C1
InChIInChI=1S/C16H30N2O2/c1-12-5-2-3-7-14(12)11-18-16(20)17-10-13-6-4-8-15(19)9-13/h12-15,19H,2-11H2,1H3,(H2,17,18,20)
InChIKeyVKQUNHKMFQGKQE-UHFFFAOYSA-N
XLogP2.66
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-hydroxycyclobutyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea
CID 111438461
1-[(3-hydroxycyclohexyl)methyl]-3-(4-methylsulfanylbutyl)urea
CID 111506508
(2-methylcyclopentyl)methylurea
CID 107417745
1-tert-butyl-3-[(2-methylcyclopentyl)methyl]urea
CID 107417748
1-(2-cyclohexylethyl)-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
CID 99858704
1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea
CID 155200065
1-[(1-butylpiperidin-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111506154
1-[(3-hydroxycyclohexyl)methyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
CID 111504652
N-[(3-hydroxycyclohexyl)methyl]thiolane-2-carboxamide
CID 103712034
2-chloro-N-[(2-methylcyclopentyl)methylcarbamoyl]acetamide
CID 107420081
N-[(3-hydroxycyclohexyl)methyl]-4-oxopentanamide
CID 106135913
2-bromo-N-[(3-hydroxycyclohexyl)methyl]propanamide
CID 106128023

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxycyclohexyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea?
The IUPAC name of 1-[(3-hydroxycyclohexyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea (CID 111505319) is 1-[(3-hydroxycyclohexyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea.
What is the SMILES notation for 1-[(3-hydroxycyclohexyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea?
The canonical SMILES for 1-[(3-hydroxycyclohexyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea is CC1CCCCC1CNC(=O)NCC1CCCC(O)C1.
What is the InChIKey of 1-[(3-hydroxycyclohexyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea?
The InChIKey is VKQUNHKMFQGKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12-5-2-3-7-14(12)11-18-16(20)17-10-13-6-4-8-15(19)9-13/h12-15,19H,2-11H2,1H3,(H2,17,18,20).
What are the key properties of 1-[(3-hydroxycyclohexyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea?
1-[(3-hydroxycyclohexyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea has a molecular weight of 282.43 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxycyclohexyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea is sourced from PubChem (CID 111505319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).