1-(4-hydroxy-2-methylbutyl)-3-[1-(4-phenylphenyl)ethyl]urea

C20H26N2O2 — CID 111503985

IUPAC1-(4-hydroxy-2-methylbutyl)-3-[1-(4-phenylphenyl)ethyl]urea
SMILESCC(CCO)CNC(=O)NC(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-15(12-13-23)14-21-20(24)22-16(2)17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,15-16,23H,12-14H2,1-2H3,(H2,21,22,24)
InChIKeyDTNFXOJKXMUMLH-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.73
Rot. Bonds7

About 1-(4-hydroxy-2-methylbutyl)-3-[1-(4-phenylphenyl)ethyl]urea

1-(4-hydroxy-2-methylbutyl)-3-[1-(4-phenylphenyl)ethyl]urea (PubChem CID 111503985) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylbutyl)-3-[1-(4-phenylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylbutyl)-3-[1-(4-phenylphenyl)ethyl]urea
PubChem CID111503985
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-(4-hydroxy-2-methylbutyl)-3-[1-(4-phenylphenyl)ethyl]urea
SMILESCC(CCO)CNC(=O)NC(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-15(12-13-23)14-21-20(24)22-16(2)17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,15-16,23H,12-14H2,1-2H3,(H2,21,22,24)
InChIKeyDTNFXOJKXMUMLH-UHFFFAOYSA-N
XLogP3.73
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxy-2-methylbutyl)-3-(1-phenylethyl)urea
CID 111503751
1-(4-hydroxy-2-methylbutyl)-3-(4-phenylphenyl)urea
CID 111472820
1-[1-(3,4-difluorophenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111503722
4-methyl-5-[1-(4-methylphenyl)ethylcarbamoylamino]pentanoic acid
CID 82014749
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
1-(4-hydroxy-2-methylbutyl)-3-[2-(4-methylphenyl)propyl]urea
CID 111506589
N-(4-hydroxy-2-methylbutyl)-N'-(2-phenylphenyl)oxamide
CID 111490995
4-[1-(4-bromophenyl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 81069199
1-(2-hydroxypentyl)-3-(1-phenylethyl)urea
CID 111337741
2-methyl-N-[1-(4-phenylphenyl)ethyl]propanamide
CID 43011131
4-fluoro-N-[2-[1-(4-phenylphenyl)ethylcarbamoylamino]ethyl]benzamide
CID 60577844

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylbutyl)-3-[1-(4-phenylphenyl)ethyl]urea?
The IUPAC name of 1-(4-hydroxy-2-methylbutyl)-3-[1-(4-phenylphenyl)ethyl]urea (CID 111503985) is 1-(4-hydroxy-2-methylbutyl)-3-[1-(4-phenylphenyl)ethyl]urea.
What is the SMILES notation for 1-(4-hydroxy-2-methylbutyl)-3-[1-(4-phenylphenyl)ethyl]urea?
The canonical SMILES for 1-(4-hydroxy-2-methylbutyl)-3-[1-(4-phenylphenyl)ethyl]urea is CC(CCO)CNC(=O)NC(C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-hydroxy-2-methylbutyl)-3-[1-(4-phenylphenyl)ethyl]urea?
The InChIKey is DTNFXOJKXMUMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15(12-13-23)14-21-20(24)22-16(2)17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,15-16,23H,12-14H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-(4-hydroxy-2-methylbutyl)-3-[1-(4-phenylphenyl)ethyl]urea?
1-(4-hydroxy-2-methylbutyl)-3-[1-(4-phenylphenyl)ethyl]urea has a molecular weight of 326.44 g/mol, XLogP of 3.73, 7 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-(4-phenylphenyl)ethyl]urea is sourced from PubChem (CID 111503985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).