1-cyclopropyl-3-[4-(1-hydroxyethyl)phenyl]-1-(2-methoxyethyl)urea

C15H22N2O3 — CID 61455441

IUPAC1-cyclopropyl-3-[4-(1-hydroxyethyl)phenyl]-1-(2-methoxyethyl)urea
SMILESCOCCN(C(=O)Nc1ccc(C(C)O)cc1)C1CC1
InChIInChI=1S/C15H22N2O3/c1-11(18)12-3-5-13(6-4-12)16-15(19)17(9-10-20-2)14-7-8-14/h3-6,11,14,18H,7-10H2,1-2H3,(H,16,19)
InChIKeyREFLIUDUIDYMIK-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.38
Rot. Bonds6

About 1-cyclopropyl-3-[4-(1-hydroxyethyl)phenyl]-1-(2-methoxyethyl)urea

1-cyclopropyl-3-[4-(1-hydroxyethyl)phenyl]-1-(2-methoxyethyl)urea (PubChem CID 61455441) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-(1-hydroxyethyl)phenyl]-1-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[4-(1-hydroxyethyl)phenyl]-1-(2-methoxyethyl)urea
PubChem CID61455441
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-cyclopropyl-3-[4-(1-hydroxyethyl)phenyl]-1-(2-methoxyethyl)urea
SMILESCOCCN(C(=O)Nc1ccc(C(C)O)cc1)C1CC1
InChIInChI=1S/C15H22N2O3/c1-11(18)12-3-5-13(6-4-12)16-15(19)17(9-10-20-2)14-7-8-14/h3-6,11,14,18H,7-10H2,1-2H3,(H,16,19)
InChIKeyREFLIUDUIDYMIK-UHFFFAOYSA-N
XLogP2.38
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-(1-hydroxyethyl)phenyl]-1-(2-methoxyethyl)urea?
The IUPAC name of 1-cyclopropyl-3-[4-(1-hydroxyethyl)phenyl]-1-(2-methoxyethyl)urea (CID 61455441) is 1-cyclopropyl-3-[4-(1-hydroxyethyl)phenyl]-1-(2-methoxyethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-[4-(1-hydroxyethyl)phenyl]-1-(2-methoxyethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-[4-(1-hydroxyethyl)phenyl]-1-(2-methoxyethyl)urea is COCCN(C(=O)Nc1ccc(C(C)O)cc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[4-(1-hydroxyethyl)phenyl]-1-(2-methoxyethyl)urea?
The InChIKey is REFLIUDUIDYMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(18)12-3-5-13(6-4-12)16-15(19)17(9-10-20-2)14-7-8-14/h3-6,11,14,18H,7-10H2,1-2H3,(H,16,19).
What are the key properties of 1-cyclopropyl-3-[4-(1-hydroxyethyl)phenyl]-1-(2-methoxyethyl)urea?
1-cyclopropyl-3-[4-(1-hydroxyethyl)phenyl]-1-(2-methoxyethyl)urea has a molecular weight of 278.35 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[4-(1-hydroxyethyl)phenyl]-1-(2-methoxyethyl)urea is sourced from PubChem (CID 61455441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).