1-(4-hydroxycyclohexyl)-3-[2-(2-phenylethoxy)ethyl]urea

C17H26N2O3 — CID 75407560

IUPAC1-(4-hydroxycyclohexyl)-3-[2-(2-phenylethoxy)ethyl]urea
SMILESO=C(NCCOCCc1ccccc1)NC1CCC(O)CC1
InChIInChI=1S/C17H26N2O3/c20-16-8-6-15(7-9-16)19-17(21)18-11-13-22-12-10-14-4-2-1-3-5-14/h1-5,15-16,20H,6-13H2,(H2,18,19,21)
InChIKeyCSBYVWOXXLMSAD-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.85
Rot. Bonds7

About 1-(4-hydroxycyclohexyl)-3-[2-(2-phenylethoxy)ethyl]urea

1-(4-hydroxycyclohexyl)-3-[2-(2-phenylethoxy)ethyl]urea (PubChem CID 75407560) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-[2-(2-phenylethoxy)ethyl]urea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-[2-(2-phenylethoxy)ethyl]urea
PubChem CID75407560
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-(4-hydroxycyclohexyl)-3-[2-(2-phenylethoxy)ethyl]urea
SMILESO=C(NCCOCCc1ccccc1)NC1CCC(O)CC1
InChIInChI=1S/C17H26N2O3/c20-16-8-6-15(7-9-16)19-17(21)18-11-13-22-12-10-14-4-2-1-3-5-14/h1-5,15-16,20H,6-13H2,(H2,18,19,21)
InChIKeyCSBYVWOXXLMSAD-UHFFFAOYSA-N
XLogP1.85
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-diazepan-2-one
CID 454189
(4R,5R,6R)-Tetrahydro-5-hydroxy-4-(2-phenylethyl)-6-(phenylmethyl)-2(1H)-pyrimidinone
CID 475826
1-(4-Hydroxycyclohexyl)-3-(4-phenylbutyl)urea
CID 154665770
1-(4-Hydroxy-2-methylcyclohexyl)-3-(4-phenylbutyl)urea
CID 154665781
N-(4-hydroxycyclohexyl)-2-(3-phenylpropoxy)acetamide
CID 154666019
4-phenylbutyl N-(4-hydroxycyclohexyl)carbamate
CID 154666023
N-(4-hydroxycyclohexyl)-3-(2-phenylethoxy)propanamide
CID 154666024
1-[(1R)-2-hydroxy-1-phenylethyl]-3-(3-phenylpropyl)urea
CID 127044774
N'-Cyclohexyl-N-(1-hydroxy-3-phenylpropan-2-yl)carbamimidic acid
CID 209000
N-Dodecyl-N'-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]urea
CID 44456844
1-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-phenylpropyl)urea
CID 127045081
4-Benzyl-5-hydroxy-6-(2-phenylethyl)-1,3-diazinan-2-one
CID 49823222

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-[2-(2-phenylethoxy)ethyl]urea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-[2-(2-phenylethoxy)ethyl]urea (CID 75407560) is 1-(4-hydroxycyclohexyl)-3-[2-(2-phenylethoxy)ethyl]urea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-[2-(2-phenylethoxy)ethyl]urea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-[2-(2-phenylethoxy)ethyl]urea is O=C(NCCOCCc1ccccc1)NC1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-[2-(2-phenylethoxy)ethyl]urea?
The InChIKey is CSBYVWOXXLMSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c20-16-8-6-15(7-9-16)19-17(21)18-11-13-22-12-10-14-4-2-1-3-5-14/h1-5,15-16,20H,6-13H2,(H2,18,19,21).
What are the key properties of 1-(4-hydroxycyclohexyl)-3-[2-(2-phenylethoxy)ethyl]urea?
1-(4-hydroxycyclohexyl)-3-[2-(2-phenylethoxy)ethyl]urea has a molecular weight of 306.41 g/mol, XLogP of 1.85, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-[2-(2-phenylethoxy)ethyl]urea is sourced from PubChem (CID 75407560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).