1-cyclopropyl-3-(2,3-dimethylphenyl)-1-(4-hydroxybutyl)urea

C16H24N2O2 — CID 111754137

IUPAC1-cyclopropyl-3-(2,3-dimethylphenyl)-1-(4-hydroxybutyl)urea
SMILESCc1cccc(NC(=O)N(CCCCO)C2CC2)c1C
InChIInChI=1S/C16H24N2O2/c1-12-6-5-7-15(13(12)2)17-16(20)18(14-8-9-14)10-3-4-11-19/h5-7,14,19H,3-4,8-11H2,1-2H3,(H,17,20)
InChIKeySQEYNMDXZAMMLG-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.07
Rot. Bonds6

About 1-cyclopropyl-3-(2,3-dimethylphenyl)-1-(4-hydroxybutyl)urea

1-cyclopropyl-3-(2,3-dimethylphenyl)-1-(4-hydroxybutyl)urea (PubChem CID 111754137) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,3-dimethylphenyl)-1-(4-hydroxybutyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,3-dimethylphenyl)-1-(4-hydroxybutyl)urea
PubChem CID111754137
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-cyclopropyl-3-(2,3-dimethylphenyl)-1-(4-hydroxybutyl)urea
SMILESCc1cccc(NC(=O)N(CCCCO)C2CC2)c1C
InChIInChI=1S/C16H24N2O2/c1-12-6-5-7-15(13(12)2)17-16(20)18(14-8-9-14)10-3-4-11-19/h5-7,14,19H,3-4,8-11H2,1-2H3,(H,17,20)
InChIKeySQEYNMDXZAMMLG-UHFFFAOYSA-N
XLogP3.07
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-1-(4-hydroxybutyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 111722525
1-cyclopropyl-1-(4-hydroxybutyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 111722528
3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbenzoic acid
CID 102865703
3-(4-chloro-2-fluorophenyl)-1-cyclopropyl-1-(4-hydroxybutyl)urea
CID 111754289
1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methoxyphenyl)urea
CID 111430067
2-[cyclopentyl(2-hydroxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 60911691
3-[acetyl(cycloheptyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113122712
1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 111722532
1,1-dibutyl-3-(2,3-dimethylphenyl)urea
CID 4157557
3-(2-benzylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 110890631
2-[[5-hydroxypentyl(methyl)carbamoyl]amino]-6-methylbenzoic acid
CID 107201429
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,3-dimethylphenyl)-1-(4-hydroxybutyl)urea?
The IUPAC name of 1-cyclopropyl-3-(2,3-dimethylphenyl)-1-(4-hydroxybutyl)urea (CID 111754137) is 1-cyclopropyl-3-(2,3-dimethylphenyl)-1-(4-hydroxybutyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(2,3-dimethylphenyl)-1-(4-hydroxybutyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(2,3-dimethylphenyl)-1-(4-hydroxybutyl)urea is Cc1cccc(NC(=O)N(CCCCO)C2CC2)c1C.
What is the InChIKey of 1-cyclopropyl-3-(2,3-dimethylphenyl)-1-(4-hydroxybutyl)urea?
The InChIKey is SQEYNMDXZAMMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-6-5-7-15(13(12)2)17-16(20)18(14-8-9-14)10-3-4-11-19/h5-7,14,19H,3-4,8-11H2,1-2H3,(H,17,20).
What are the key properties of 1-cyclopropyl-3-(2,3-dimethylphenyl)-1-(4-hydroxybutyl)urea?
1-cyclopropyl-3-(2,3-dimethylphenyl)-1-(4-hydroxybutyl)urea has a molecular weight of 276.38 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,3-dimethylphenyl)-1-(4-hydroxybutyl)urea is sourced from PubChem (CID 111754137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).