1-(4-hydroxy-2,2-dimethylpentyl)-3-(3-propan-2-ylphenyl)urea

C17H28N2O2 — CID 111473397

IUPAC1-(4-hydroxy-2,2-dimethylpentyl)-3-(3-propan-2-ylphenyl)urea
SMILESCC(O)CC(C)(C)CNC(=O)Nc1cccc(C(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-12(2)14-7-6-8-15(9-14)19-16(21)18-11-17(4,5)10-13(3)20/h6-9,12-13,20H,10-11H2,1-5H3,(H2,18,19,21)
InChIKeySVFPYEJPRVAURY-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.73
Rot. Bonds6

About 1-(4-hydroxy-2,2-dimethylpentyl)-3-(3-propan-2-ylphenyl)urea

1-(4-hydroxy-2,2-dimethylpentyl)-3-(3-propan-2-ylphenyl)urea (PubChem CID 111473397) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(4-hydroxy-2,2-dimethylpentyl)-3-(3-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-2,2-dimethylpentyl)-3-(3-propan-2-ylphenyl)urea
PubChem CID111473397
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(4-hydroxy-2,2-dimethylpentyl)-3-(3-propan-2-ylphenyl)urea
SMILESCC(O)CC(C)(C)CNC(=O)Nc1cccc(C(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-12(2)14-7-6-8-15(9-14)19-16(21)18-11-17(4,5)10-13(3)20/h6-9,12-13,20H,10-11H2,1-5H3,(H2,18,19,21)
InChIKeySVFPYEJPRVAURY-UHFFFAOYSA-N
XLogP3.73
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(ethoxymethyl)phenyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111474442
1-(3-bromo-4-methylphenyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111473570
1-(3-chloro-4-cyanophenyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111473269
ethyl 2-[(3-propan-2-ylphenyl)carbamoylamino]acetate
CID 43385028
1-(4-hydroxy-2,2-dimethylpentyl)-3-(3,4,5-trifluorophenyl)urea
CID 111475074
1-benzhydryl-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111503860
1-(4-chloro-3-nitrophenyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111473101
N-(4-hydroxy-2,2-dimethylpentyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 111490720
N-(4-hydroxy-2,2-dimethylpentyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 111490713
1-propan-2-yl-3-(3-propan-2-ylphenyl)urea
CID 47173712
1-(4-hydroxy-2,2-dimethylpentyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 111472761
1-(3-chloro-2-fluorophenyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111473330

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,2-dimethylpentyl)-3-(3-propan-2-ylphenyl)urea?
The IUPAC name of 1-(4-hydroxy-2,2-dimethylpentyl)-3-(3-propan-2-ylphenyl)urea (CID 111473397) is 1-(4-hydroxy-2,2-dimethylpentyl)-3-(3-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-(4-hydroxy-2,2-dimethylpentyl)-3-(3-propan-2-ylphenyl)urea?
The canonical SMILES for 1-(4-hydroxy-2,2-dimethylpentyl)-3-(3-propan-2-ylphenyl)urea is CC(O)CC(C)(C)CNC(=O)Nc1cccc(C(C)C)c1.
What is the InChIKey of 1-(4-hydroxy-2,2-dimethylpentyl)-3-(3-propan-2-ylphenyl)urea?
The InChIKey is SVFPYEJPRVAURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12(2)14-7-6-8-15(9-14)19-16(21)18-11-17(4,5)10-13(3)20/h6-9,12-13,20H,10-11H2,1-5H3,(H2,18,19,21).
What are the key properties of 1-(4-hydroxy-2,2-dimethylpentyl)-3-(3-propan-2-ylphenyl)urea?
1-(4-hydroxy-2,2-dimethylpentyl)-3-(3-propan-2-ylphenyl)urea has a molecular weight of 292.42 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2,2-dimethylpentyl)-3-(3-propan-2-ylphenyl)urea is sourced from PubChem (CID 111473397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).