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

C15H28N2O3 — CID 110025016

IUPAC1-[(2-hydroxycyclohexyl)methyl]-3-[2-(oxan-2-yl)ethyl]urea
SMILESO=C(NCCC1CCCCO1)NCC1CCCCC1O
InChIInChI=1S/C15H28N2O3/c18-14-7-2-1-5-12(14)11-17-15(19)16-9-8-13-6-3-4-10-20-13/h12-14,18H,1-11H2,(H2,16,17,19)
InChIKeyMHVBDDXNJCDRQF-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.80
Rot. Bonds5

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

1-[(2-hydroxycyclohexyl)methyl]-3-[2-(oxan-2-yl)ethyl]urea (PubChem CID 110025016) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[(2-hydroxycyclohexyl)methyl]-3-[2-(oxan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(2-hydroxycyclohexyl)methyl]-3-[2-(oxan-2-yl)ethyl]urea
PubChem CID110025016
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-[(2-hydroxycyclohexyl)methyl]-3-[2-(oxan-2-yl)ethyl]urea
SMILESO=C(NCCC1CCCCO1)NCC1CCCCC1O
InChIInChI=1S/C15H28N2O3/c18-14-7-2-1-5-12(14)11-17-15(19)16-9-8-13-6-3-4-10-20-13/h12-14,18H,1-11H2,(H2,16,17,19)
InChIKeyMHVBDDXNJCDRQF-UHFFFAOYSA-N
XLogP1.80
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-hydroxycyclohexyl)methyl]-3-(oxan-2-yl)propanamide
CID 64911137
1-cyclopropyl-3-[2-(oxan-2-yl)ethyl]urea
CID 103975410
1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[2-[(2S)-oxolan-2-yl]ethyl]urea
CID 97242721
N-[2-(oxan-2-yl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 106000950
3-[3-(oxan-2-yl)propylcarbamoylamino]propanoic acid
CID 122009972
1-(2-methylprop-2-enyl)-3-[2-(oxolan-2-yl)ethyl]urea
CID 91661489
3-oxo-3-[2-(oxolan-2-yl)ethylamino]propanoic acid
CID 62230104
1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea
CID 75518600
4-[2-(oxan-2-yl)ethylcarbamoyl]benzoic acid
CID 106704122
N-[(2-aminocyclohexyl)methyl]-3-(oxan-2-yl)propanamide
CID 64927836
(2S)-2-[2-(oxan-2-yl)ethylcarbamoylamino]butanoic acid
CID 114135764
1-[(6-methyl-3-pyridinyl)methyl]-3-[2-[(2R)-oxan-2-yl]ethyl]urea
CID 97346210

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclohexyl)methyl]-3-[2-(oxan-2-yl)ethyl]urea?
The IUPAC name of 1-[(2-hydroxycyclohexyl)methyl]-3-[2-(oxan-2-yl)ethyl]urea (CID 110025016) is 1-[(2-hydroxycyclohexyl)methyl]-3-[2-(oxan-2-yl)ethyl]urea.
What is the SMILES notation for 1-[(2-hydroxycyclohexyl)methyl]-3-[2-(oxan-2-yl)ethyl]urea?
The canonical SMILES for 1-[(2-hydroxycyclohexyl)methyl]-3-[2-(oxan-2-yl)ethyl]urea is O=C(NCCC1CCCCO1)NCC1CCCCC1O.
What is the InChIKey of 1-[(2-hydroxycyclohexyl)methyl]-3-[2-(oxan-2-yl)ethyl]urea?
The InChIKey is MHVBDDXNJCDRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c18-14-7-2-1-5-12(14)11-17-15(19)16-9-8-13-6-3-4-10-20-13/h12-14,18H,1-11H2,(H2,16,17,19).
What are the key properties of 1-[(2-hydroxycyclohexyl)methyl]-3-[2-(oxan-2-yl)ethyl]urea?
1-[(2-hydroxycyclohexyl)methyl]-3-[2-(oxan-2-yl)ethyl]urea has a molecular weight of 284.40 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclohexyl)methyl]-3-[2-(oxan-2-yl)ethyl]urea is sourced from PubChem (CID 110025016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).