1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methoxyphenyl)urea

C15H22N2O3 — CID 111430067

IUPAC1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)N(CCCCO)C2CC2)cc1
InChIInChI=1S/C15H22N2O3/c1-20-14-8-4-12(5-9-14)16-15(19)17(13-6-7-13)10-2-3-11-18/h4-5,8-9,13,18H,2-3,6-7,10-11H2,1H3,(H,16,19)
InChIKeyMLDITSFMHKDGKJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.46
Rot. Bonds7

About 1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methoxyphenyl)urea

1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methoxyphenyl)urea (PubChem CID 111430067) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methoxyphenyl)urea
PubChem CID111430067
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)N(CCCCO)C2CC2)cc1
InChIInChI=1S/C15H22N2O3/c1-20-14-8-4-12(5-9-14)16-15(19)17(13-6-7-13)10-2-3-11-18/h4-5,8-9,13,18H,2-3,6-7,10-11H2,1H3,(H,16,19)
InChIKeyMLDITSFMHKDGKJ-UHFFFAOYSA-N
XLogP2.46
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminopropyl)-1-cyclopropyl-3-(4-methoxyphenyl)urea
CID 43319501
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 30938797
1-(3-aminopropyl)-1-cyclopropyl-3-(3-methoxyphenyl)urea
CID 61309564
4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
CID 61452845
3-[4-(aminomethyl)phenyl]-1-cyclobutyl-1-(3-hydroxypropyl)urea
CID 102865027
1-cyclopropyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea
CID 43429992
N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 102866210
1-cyclopropyl-3-[4-(1-hydroxyethyl)phenyl]-1-(2-methoxyethyl)urea
CID 61455441
1-cyclopropyl-3-(2,3-dimethylphenyl)-1-(4-hydroxybutyl)urea
CID 111754137
2-[bis(3-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide
CID 18870810
1-cyclopropyl-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1-(4-hydroxybutyl)urea
CID 111754705
1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 111722532

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methoxyphenyl)urea (CID 111430067) is 1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)N(CCCCO)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methoxyphenyl)urea?
The InChIKey is MLDITSFMHKDGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-20-14-8-4-12(5-9-14)16-15(19)17(13-6-7-13)10-2-3-11-18/h4-5,8-9,13,18H,2-3,6-7,10-11H2,1H3,(H,16,19).
What are the key properties of 1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methoxyphenyl)urea?
1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methoxyphenyl)urea has a molecular weight of 278.35 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 111430067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).