1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(oxan-4-yl)ethyl]urea

C16H30N2O3 — CID 110012762

IUPAC1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(oxan-4-yl)ethyl]urea
SMILESCC(NC(=O)N(C)CC1CCCCC1O)C1CCOCC1
InChIInChI=1S/C16H30N2O3/c1-12(13-7-9-21-10-8-13)17-16(20)18(2)11-14-5-3-4-6-15(14)19/h12-15,19H,3-11H2,1-2H3,(H,17,20)
InChIKeyNGZUJRUPCCASFK-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.99
Rot. Bonds4

About 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(oxan-4-yl)ethyl]urea

1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(oxan-4-yl)ethyl]urea (PubChem CID 110012762) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(oxan-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(oxan-4-yl)ethyl]urea
PubChem CID110012762
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(oxan-4-yl)ethyl]urea
SMILESCC(NC(=O)N(C)CC1CCCCC1O)C1CCOCC1
InChIInChI=1S/C16H30N2O3/c1-12(13-7-9-21-10-8-13)17-16(20)18(2)11-14-5-3-4-6-15(14)19/h12-15,19H,3-11H2,1-2H3,(H,17,20)
InChIKeyNGZUJRUPCCASFK-UHFFFAOYSA-N
XLogP1.99
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(dimethylamino)butan-2-yl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110011987
1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(1-pyridin-4-ylethyl)urea
CID 75483877
3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 75473245
2-[1-cyclohexylethylcarbamoyl(methyl)amino]acetic acid
CID 62405987
3-[1-(2,3-difluorophenyl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 86784726
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea
CID 109398837
(2S)-2-amino-N-[1-(oxan-4-yl)ethyl]butanamide
CID 103797658
1-[(2-hydroxycyclohexyl)methyl]-3-(2-methoxy-1-phenylethyl)-1-methylurea
CID 110012205
2-(methylamino)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride
CID 119801745
N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide
CID 110003474
3-[1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110011834
3-[1-(2,5-difluorophenyl)propyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110012598

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(oxan-4-yl)ethyl]urea?
The IUPAC name of 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(oxan-4-yl)ethyl]urea (CID 110012762) is 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(oxan-4-yl)ethyl]urea.
What is the SMILES notation for 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(oxan-4-yl)ethyl]urea?
The canonical SMILES for 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(oxan-4-yl)ethyl]urea is CC(NC(=O)N(C)CC1CCCCC1O)C1CCOCC1.
What is the InChIKey of 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(oxan-4-yl)ethyl]urea?
The InChIKey is NGZUJRUPCCASFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-12(13-7-9-21-10-8-13)17-16(20)18(2)11-14-5-3-4-6-15(14)19/h12-15,19H,3-11H2,1-2H3,(H,17,20).
What are the key properties of 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(oxan-4-yl)ethyl]urea?
1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(oxan-4-yl)ethyl]urea has a molecular weight of 298.43 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(oxan-4-yl)ethyl]urea is sourced from PubChem (CID 110012762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).