1-(3-ethylphenyl)-3-(2-hydroxy-4-methylpentyl)urea

C15H24N2O2 — CID 111431114

IUPAC1-(3-ethylphenyl)-3-(2-hydroxy-4-methylpentyl)urea
SMILESCCc1cccc(NC(=O)NCC(O)CC(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-4-12-6-5-7-13(9-12)17-15(19)16-10-14(18)8-11(2)3/h5-7,9,11,14,18H,4,8,10H2,1-3H3,(H2,16,17,19)
InChIKeyCZLMGZAUNMBURG-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.78
Rot. Bonds6

About 1-(3-ethylphenyl)-3-(2-hydroxy-4-methylpentyl)urea

1-(3-ethylphenyl)-3-(2-hydroxy-4-methylpentyl)urea (PubChem CID 111431114) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-3-(2-hydroxy-4-methylpentyl)urea.

Molecular Properties

Compound Name1-(3-ethylphenyl)-3-(2-hydroxy-4-methylpentyl)urea
PubChem CID111431114
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(3-ethylphenyl)-3-(2-hydroxy-4-methylpentyl)urea
SMILESCCc1cccc(NC(=O)NCC(O)CC(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-4-12-6-5-7-13(9-12)17-15(19)16-10-14(18)8-11(2)3/h5-7,9,11,14,18H,4,8,10H2,1-3H3,(H2,16,17,19)
InChIKeyCZLMGZAUNMBURG-UHFFFAOYSA-N
XLogP2.78
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(3-ethylphenyl)-N-(2-hydroxy-4-methylpentyl)oxamide
CID 110910480
1-(2-hydroxy-4-methylpentyl)-3-[3-(2,2,2-trifluoroethyl)phenyl]urea
CID 111475762
1-(2-hydroxy-4-methylpentyl)-3-(3-methylphenyl)urea
CID 110909846
1-(3-ethynylphenyl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111431275
1-(3-ethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 51944765
(2R)-2-[(3-ethylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 78976235
1-(3-ethylphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111442955
1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(3-ethylphenyl)urea
CID 51944769
1-(3-ethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61348000
2-[(3-ethylphenyl)carbamoylamino]acetamide
CID 144801383
1-[3-[(dimethylamino)methyl]phenyl]-3-(2-hydroxypropyl)urea
CID 47202587
1-(2-hydroxy-4-methylpentyl)-3-[4-(2-methylsulfanylethyl)phenyl]urea
CID 111453417

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-3-(2-hydroxy-4-methylpentyl)urea?
The IUPAC name of 1-(3-ethylphenyl)-3-(2-hydroxy-4-methylpentyl)urea (CID 111431114) is 1-(3-ethylphenyl)-3-(2-hydroxy-4-methylpentyl)urea.
What is the SMILES notation for 1-(3-ethylphenyl)-3-(2-hydroxy-4-methylpentyl)urea?
The canonical SMILES for 1-(3-ethylphenyl)-3-(2-hydroxy-4-methylpentyl)urea is CCc1cccc(NC(=O)NCC(O)CC(C)C)c1.
What is the InChIKey of 1-(3-ethylphenyl)-3-(2-hydroxy-4-methylpentyl)urea?
The InChIKey is CZLMGZAUNMBURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-12-6-5-7-13(9-12)17-15(19)16-10-14(18)8-11(2)3/h5-7,9,11,14,18H,4,8,10H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-(3-ethylphenyl)-3-(2-hydroxy-4-methylpentyl)urea?
1-(3-ethylphenyl)-3-(2-hydroxy-4-methylpentyl)urea has a molecular weight of 264.37 g/mol, XLogP of 2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-3-(2-hydroxy-4-methylpentyl)urea is sourced from PubChem (CID 111431114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).