1-(4-hydroxy-2-methylbutyl)-3-(1-phenylethyl)urea

C14H22N2O2 — CID 111503751

IUPAC1-(4-hydroxy-2-methylbutyl)-3-(1-phenylethyl)urea
SMILESCC(CCO)CNC(=O)NC(C)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-11(8-9-17)10-15-14(18)16-12(2)13-6-4-3-5-7-13/h3-7,11-12,17H,8-10H2,1-2H3,(H2,15,16,18)
InChIKeyFCSHNKSBAZDQRE-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.07
Rot. Bonds6

About 1-(4-hydroxy-2-methylbutyl)-3-(1-phenylethyl)urea

1-(4-hydroxy-2-methylbutyl)-3-(1-phenylethyl)urea (PubChem CID 111503751) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylbutyl)-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylbutyl)-3-(1-phenylethyl)urea
PubChem CID111503751
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(4-hydroxy-2-methylbutyl)-3-(1-phenylethyl)urea
SMILESCC(CCO)CNC(=O)NC(C)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-11(8-9-17)10-15-14(18)16-12(2)13-6-4-3-5-7-13/h3-7,11-12,17H,8-10H2,1-2H3,(H2,15,16,18)
InChIKeyFCSHNKSBAZDQRE-UHFFFAOYSA-N
XLogP2.07
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxy-2-methylbutyl)-3-[1-(4-phenylphenyl)ethyl]urea
CID 111503985
1-[1-(3,4-difluorophenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111503722
1-(2-hydroxypentyl)-3-(1-phenylethyl)urea
CID 111337741
1-[1-(4-fluoro-3,5-dimethylphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111508335
4-hydroxy-2-(1-phenylethylcarbamoylamino)butanoic acid
CID 61244988
4-methyl-5-[1-(4-methylphenyl)ethylcarbamoylamino]pentanoic acid
CID 82014749
(2S)-2-(2,2-diphenylethylcarbamoylamino)propanoic acid
CID 2005904
1-[(1S)-1-phenylethyl]-3-[8-[[(1S)-1-phenylethyl]carbamoylamino]octyl]urea
CID 102519107
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-phenylethyl)urea
CID 111119523
1-(4-hydroxy-2-methylbutyl)-3-(4-phenylphenyl)urea
CID 111472820
1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(1-phenylethyl)urea
CID 111453829
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(1-phenylethyl)urea
CID 110893367

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylbutyl)-3-(1-phenylethyl)urea?
The IUPAC name of 1-(4-hydroxy-2-methylbutyl)-3-(1-phenylethyl)urea (CID 111503751) is 1-(4-hydroxy-2-methylbutyl)-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-(4-hydroxy-2-methylbutyl)-3-(1-phenylethyl)urea?
The canonical SMILES for 1-(4-hydroxy-2-methylbutyl)-3-(1-phenylethyl)urea is CC(CCO)CNC(=O)NC(C)c1ccccc1.
What is the InChIKey of 1-(4-hydroxy-2-methylbutyl)-3-(1-phenylethyl)urea?
The InChIKey is FCSHNKSBAZDQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(8-9-17)10-15-14(18)16-12(2)13-6-4-3-5-7-13/h3-7,11-12,17H,8-10H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-(4-hydroxy-2-methylbutyl)-3-(1-phenylethyl)urea?
1-(4-hydroxy-2-methylbutyl)-3-(1-phenylethyl)urea has a molecular weight of 250.34 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methylbutyl)-3-(1-phenylethyl)urea is sourced from PubChem (CID 111503751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).