1-cyclohexyl-3-[1-(4-hydroxyphenoxy)ethyl]-1-methylurea

C16H24N2O3 — CID 108870951

IUPAC1-cyclohexyl-3-[1-(4-hydroxyphenoxy)ethyl]-1-methylurea
SMILESCC(NC(=O)N(C)C1CCCCC1)Oc1ccc(O)cc1
InChIInChI=1S/C16H24N2O3/c1-12(21-15-10-8-14(19)9-11-15)17-16(20)18(2)13-6-4-3-5-7-13/h8-13,19H,3-7H2,1-2H3,(H,17,20)
InChIKeyNXKNMPQBYUFPPQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.09
Rot. Bonds4

About 1-cyclohexyl-3-[1-(4-hydroxyphenoxy)ethyl]-1-methylurea

1-cyclohexyl-3-[1-(4-hydroxyphenoxy)ethyl]-1-methylurea (PubChem CID 108870951) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-(4-hydroxyphenoxy)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-(4-hydroxyphenoxy)ethyl]-1-methylurea
PubChem CID108870951
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-cyclohexyl-3-[1-(4-hydroxyphenoxy)ethyl]-1-methylurea
SMILESCC(NC(=O)N(C)C1CCCCC1)Oc1ccc(O)cc1
InChIInChI=1S/C16H24N2O3/c1-12(21-15-10-8-14(19)9-11-15)17-16(20)18(2)13-6-4-3-5-7-13/h8-13,19H,3-7H2,1-2H3,(H,17,20)
InChIKeyNXKNMPQBYUFPPQ-UHFFFAOYSA-N
XLogP3.09
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-cycloheptyl-3-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea
CID 71886576
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]propanoic acid
CID 78972171
1-[1-(4-hydroxyphenoxy)ethyl]-3-methylurea
CID 108871109
N-cyclohexyl-4-hydroxy-N-methylbenzamide
CID 43176625
1-methyl-1-(3-methylcyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea
CID 112835878
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-2-phenylacetic acid
CID 61191814
4-[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl]oxybenzamide
CID 51142647
1-cyclohexyl-3-(4-methoxy-2-methylphenyl)-1-methylurea
CID 69479184
3-[[cyclopentyl(methyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 61193959
1-(4,4-dimethylcyclohexyl)-1-methyl-3-propan-2-ylurea
CID 115686583
N-[1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 51268308
1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-hydroxypropyl)urea
CID 108871066

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[1-(4-hydroxyphenoxy)ethyl]-1-methylurea?
The IUPAC name of 1-cyclohexyl-3-[1-(4-hydroxyphenoxy)ethyl]-1-methylurea (CID 108870951) is 1-cyclohexyl-3-[1-(4-hydroxyphenoxy)ethyl]-1-methylurea.
What is the SMILES notation for 1-cyclohexyl-3-[1-(4-hydroxyphenoxy)ethyl]-1-methylurea?
The canonical SMILES for 1-cyclohexyl-3-[1-(4-hydroxyphenoxy)ethyl]-1-methylurea is CC(NC(=O)N(C)C1CCCCC1)Oc1ccc(O)cc1.
What is the InChIKey of 1-cyclohexyl-3-[1-(4-hydroxyphenoxy)ethyl]-1-methylurea?
The InChIKey is NXKNMPQBYUFPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(21-15-10-8-14(19)9-11-15)17-16(20)18(2)13-6-4-3-5-7-13/h8-13,19H,3-7H2,1-2H3,(H,17,20).
What are the key properties of 1-cyclohexyl-3-[1-(4-hydroxyphenoxy)ethyl]-1-methylurea?
1-cyclohexyl-3-[1-(4-hydroxyphenoxy)ethyl]-1-methylurea has a molecular weight of 292.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-(4-hydroxyphenoxy)ethyl]-1-methylurea is sourced from PubChem (CID 108870951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).