1-(2-ethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea

C16H26N2O2 — CID 111120487

IUPAC1-(2-ethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
SMILESCCc1ccccc1NC(=O)NCC(C)(O)C(C)CC
InChIInChI=1S/C16H26N2O2/c1-5-12(3)16(4,20)11-17-15(19)18-14-10-8-7-9-13(14)6-2/h7-10,12,20H,5-6,11H2,1-4H3,(H2,17,18,19)
InChIKeyYPNGIJXIMWYYEI-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.17
Rot. Bonds6

About 1-(2-ethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea

1-(2-ethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea (PubChem CID 111120487) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
PubChem CID111120487
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(2-ethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
SMILESCCc1ccccc1NC(=O)NCC(C)(O)C(C)CC
InChIInChI=1S/C16H26N2O2/c1-5-12(3)16(4,20)11-17-15(19)18-14-10-8-7-9-13(14)6-2/h7-10,12,20H,5-6,11H2,1-4H3,(H2,17,18,19)
InChIKeyYPNGIJXIMWYYEI-UHFFFAOYSA-N
XLogP3.17
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111120346
1-(2-hydroxy-2,3-dimethylpentyl)-3-(2-methyl-3-nitrophenyl)urea
CID 111120461
4-[(2-ethylphenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66001204
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111120865
1-(2-hydroxy-2,3-dimethylpentyl)-3-pyridin-3-ylurea
CID 111119402
1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 111120840
1-(2-hydroxy-2,3-dimethylpentyl)-3-[(2-nitrophenyl)methyl]urea
CID 111120929
1-(2-bromophenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120348
1-(4-fluoro-2-methoxyphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111120547
N-(2-hydroxy-2,3-dimethylpentyl)-2-(2-methoxyphenyl)acetamide
CID 111446516
1-(2-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120450
N-(2-ethylphenyl)-2-methylbutanamide
CID 3140517

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea?
The IUPAC name of 1-(2-ethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea (CID 111120487) is 1-(2-ethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea.
What is the SMILES notation for 1-(2-ethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea?
The canonical SMILES for 1-(2-ethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea is CCc1ccccc1NC(=O)NCC(C)(O)C(C)CC.
What is the InChIKey of 1-(2-ethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea?
The InChIKey is YPNGIJXIMWYYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-12(3)16(4,20)11-17-15(19)18-14-10-8-7-9-13(14)6-2/h7-10,12,20H,5-6,11H2,1-4H3,(H2,17,18,19).
What are the key properties of 1-(2-ethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea?
1-(2-ethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea has a molecular weight of 278.40 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea is sourced from PubChem (CID 111120487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).