1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-(4-ethoxyphenyl)urea

C19H22N2O5 — CID 90497922

IUPAC1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)NCC(C)(O)c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H22N2O5/c1-3-24-15-7-5-14(6-8-15)21-18(22)20-11-19(2,23)13-4-9-16-17(10-13)26-12-25-16/h4-10,23H,3,11-12H2,1-2H3,(H2,20,21,22)
InChIKeyIZUBFOTXVJGVDS-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.84
Rot. Bonds6

About 1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-(4-ethoxyphenyl)urea

1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-(4-ethoxyphenyl)urea (PubChem CID 90497922) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-(4-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-(4-ethoxyphenyl)urea
PubChem CID90497922
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)NCC(C)(O)c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H22N2O5/c1-3-24-15-7-5-14(6-8-15)21-18(22)20-11-19(2,23)13-4-9-16-17(10-13)26-12-25-16/h4-10,23H,3,11-12H2,1-2H3,(H2,20,21,22)
InChIKeyIZUBFOTXVJGVDS-UHFFFAOYSA-N
XLogP2.84
TPSA89.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-(1,3-benzodioxol-5-yl)-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

1-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213671
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-ethoxybenzamide
CID 90497702
1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea
CID 71781951
1-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 95982926
2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide
CID 87044762
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-4-tert-butylbenzamide
CID 90497716
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-N'-(3,4-dimethylphenyl)oxamide
CID 90497869
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3,5-dimethoxybenzamide
CID 90497723
1-(2-cyclopropyl-2-hydroxypropyl)-3-(4-ethoxyphenyl)urea
CID 52992812
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]benzamide
CID 95982841
1-(4-ethoxyphenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213639
1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874354

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-(4-ethoxyphenyl)urea?
The IUPAC name of 1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-(4-ethoxyphenyl)urea (CID 90497922) is 1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-(4-ethoxyphenyl)urea.
What is the SMILES notation for 1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-(4-ethoxyphenyl)urea?
The canonical SMILES for 1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-(4-ethoxyphenyl)urea is CCOc1ccc(NC(=O)NCC(C)(O)c2ccc3c(c2)OCO3)cc1.
What is the InChIKey of 1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-(4-ethoxyphenyl)urea?
The InChIKey is IZUBFOTXVJGVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-3-24-15-7-5-14(6-8-15)21-18(22)20-11-19(2,23)13-4-9-16-17(10-13)26-12-25-16/h4-10,23H,3,11-12H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-(4-ethoxyphenyl)urea?
1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-(4-ethoxyphenyl)urea has a molecular weight of 358.39 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-(4-ethoxyphenyl)urea is sourced from PubChem (CID 90497922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).