1-(2-cyclopropyl-2-hydroxypropyl)-3-(4-ethoxyphenyl)urea

C15H22N2O3 — CID 52992812

IUPAC1-(2-cyclopropyl-2-hydroxypropyl)-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)NCC(C)(O)C2CC2)cc1
InChIInChI=1S/C15H22N2O3/c1-3-20-13-8-6-12(7-9-13)17-14(18)16-10-15(2,19)11-4-5-11/h6-9,11,19H,3-5,10H2,1-2H3,(H2,16,17,18)
InChIKeyBPAFQOQAKZPPJH-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.37
Rot. Bonds6

About 1-(2-cyclopropyl-2-hydroxypropyl)-3-(4-ethoxyphenyl)urea

1-(2-cyclopropyl-2-hydroxypropyl)-3-(4-ethoxyphenyl)urea (PubChem CID 52992812) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-hydroxypropyl)-3-(4-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-hydroxypropyl)-3-(4-ethoxyphenyl)urea
PubChem CID52992812
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-(2-cyclopropyl-2-hydroxypropyl)-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)NCC(C)(O)C2CC2)cc1
InChIInChI=1S/C15H22N2O3/c1-3-20-13-8-6-12(7-9-13)17-14(18)16-10-15(2,19)11-4-5-11/h6-9,11,19H,3-5,10H2,1-2H3,(H2,16,17,18)
InChIKeyBPAFQOQAKZPPJH-UHFFFAOYSA-N
XLogP2.37
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(2-cyclopropyl-2-hydroxypropyl)-3-(4-ethoxyphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-ethoxyphenoxy)acetamide
CID 90499308
1-(2-cyclopropyl-2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 90499492
1-(4-ethoxyphenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213639
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874354
2-[(4-ethoxyphenyl)carbamoylamino]acetic acid
CID 12856017
1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(2-phenoxyethyl)urea
CID 95986154
1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-(4-ethoxyphenyl)urea
CID 90497922
4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid
CID 108874268
2-hydroxy-2-methyl-3-[(4-propoxyphenyl)carbamoylamino]propanoic acid
CID 66174903
1-(4-butoxyphenyl)-3-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]urea
CID 121085653
1-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-(4-ethoxyphenyl)urea
CID 99980812

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-hydroxypropyl)-3-(4-ethoxyphenyl)urea?
The IUPAC name of 1-(2-cyclopropyl-2-hydroxypropyl)-3-(4-ethoxyphenyl)urea (CID 52992812) is 1-(2-cyclopropyl-2-hydroxypropyl)-3-(4-ethoxyphenyl)urea.
What is the SMILES notation for 1-(2-cyclopropyl-2-hydroxypropyl)-3-(4-ethoxyphenyl)urea?
The canonical SMILES for 1-(2-cyclopropyl-2-hydroxypropyl)-3-(4-ethoxyphenyl)urea is CCOc1ccc(NC(=O)NCC(C)(O)C2CC2)cc1.
What is the InChIKey of 1-(2-cyclopropyl-2-hydroxypropyl)-3-(4-ethoxyphenyl)urea?
The InChIKey is BPAFQOQAKZPPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-20-13-8-6-12(7-9-13)17-14(18)16-10-15(2,19)11-4-5-11/h6-9,11,19H,3-5,10H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-(2-cyclopropyl-2-hydroxypropyl)-3-(4-ethoxyphenyl)urea?
1-(2-cyclopropyl-2-hydroxypropyl)-3-(4-ethoxyphenyl)urea has a molecular weight of 278.35 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-hydroxypropyl)-3-(4-ethoxyphenyl)urea is sourced from PubChem (CID 52992812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).