1-cycloheptyl-3-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea

C16H24N2O3 — CID 119060582

IUPAC1-cycloheptyl-3-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea
SMILESO=C(NCC(O)c1cccc(O)c1)NC1CCCCCC1
InChIInChI=1S/C16H24N2O3/c19-14-9-5-6-12(10-14)15(20)11-17-16(21)18-13-7-3-1-2-4-8-13/h5-6,9-10,13,15,19-20H,1-4,7-8,11H2,(H2,17,18,21)
InChIKeyOGJBTAZXDUJOPW-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.45
Rot. Bonds4

About 1-cycloheptyl-3-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea

1-cycloheptyl-3-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea (PubChem CID 119060582) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-cycloheptyl-3-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-cycloheptyl-3-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea
PubChem CID119060582
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-cycloheptyl-3-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea
SMILESO=C(NCC(O)c1cccc(O)c1)NC1CCCCCC1
InChIInChI=1S/C16H24N2O3/c19-14-9-5-6-12(10-14)15(20)11-17-16(21)18-13-7-3-1-2-4-8-13/h5-6,9-10,13,15,19-20H,1-4,7-8,11H2,(H2,17,18,21)
InChIKeyOGJBTAZXDUJOPW-UHFFFAOYSA-N
XLogP2.45
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclohexylsulfanylethyl)-3-[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea
CID 125445384
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CID 14458365
1-cyclopropyl-3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 111108599
1-cyclopentyl-3-(2,2-diphenylethyl)urea
CID 38287341
[2-hydroxy-2-(3-hydroxyphenyl)ethyl]carbamic acid
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CID 97106056
1-cyclopentyl-3-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]urea
CID 71803751
1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea
CID 52532707
1-(4-hydroxycyclohexyl)-3-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]urea
CID 119061128
1-cyclopentyl-3-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]urea
CID 129373790
N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]propanamide
CID 20616558
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CID 122023538

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea?
The IUPAC name of 1-cycloheptyl-3-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea (CID 119060582) is 1-cycloheptyl-3-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea.
What is the SMILES notation for 1-cycloheptyl-3-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea?
The canonical SMILES for 1-cycloheptyl-3-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea is O=C(NCC(O)c1cccc(O)c1)NC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea?
The InChIKey is OGJBTAZXDUJOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c19-14-9-5-6-12(10-14)15(20)11-17-16(21)18-13-7-3-1-2-4-8-13/h5-6,9-10,13,15,19-20H,1-4,7-8,11H2,(H2,17,18,21).
What are the key properties of 1-cycloheptyl-3-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea?
1-cycloheptyl-3-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea has a molecular weight of 292.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea is sourced from PubChem (CID 119060582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).