1-(4-ethylphenyl)-3-[(1-hydroxynaphthalene-2-carbonyl)amino]urea

C20H19N3O3 — CID 24819049

IUPAC1-(4-ethylphenyl)-3-[(1-hydroxynaphthalene-2-carbonyl)amino]urea
SMILESCCc1ccc(NC(=O)NNC(=O)c2ccc3ccccc3c2O)cc1
InChIInChI=1S/C20H19N3O3/c1-2-13-7-10-15(11-8-13)21-20(26)23-22-19(25)17-12-9-14-5-3-4-6-16(14)18(17)24/h3-12,24H,2H2,1H3,(H,22,25)(H2,21,23,26)
InChIKeyHPGNOWVFAYSNAQ-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.57
Rot. Bonds3

About 1-(4-ethylphenyl)-3-[(1-hydroxynaphthalene-2-carbonyl)amino]urea

1-(4-ethylphenyl)-3-[(1-hydroxynaphthalene-2-carbonyl)amino]urea (PubChem CID 24819049) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-[(1-hydroxynaphthalene-2-carbonyl)amino]urea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-[(1-hydroxynaphthalene-2-carbonyl)amino]urea
PubChem CID24819049
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name1-(4-ethylphenyl)-3-[(1-hydroxynaphthalene-2-carbonyl)amino]urea
SMILESCCc1ccc(NC(=O)NNC(=O)c2ccc3ccccc3c2O)cc1
InChIInChI=1S/C20H19N3O3/c1-2-13-7-10-15(11-8-13)21-20(26)23-22-19(25)17-12-9-14-5-3-4-6-16(14)18(17)24/h3-12,24H,2H2,1H3,(H,22,25)(H2,21,23,26)
InChIKeyHPGNOWVFAYSNAQ-UHFFFAOYSA-N
XLogP3.57
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-[(1-hydroxynaphthalene-2-carbonyl)amino]urea?
The IUPAC name of 1-(4-ethylphenyl)-3-[(1-hydroxynaphthalene-2-carbonyl)amino]urea (CID 24819049) is 1-(4-ethylphenyl)-3-[(1-hydroxynaphthalene-2-carbonyl)amino]urea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-[(1-hydroxynaphthalene-2-carbonyl)amino]urea?
The canonical SMILES for 1-(4-ethylphenyl)-3-[(1-hydroxynaphthalene-2-carbonyl)amino]urea is CCc1ccc(NC(=O)NNC(=O)c2ccc3ccccc3c2O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-[(1-hydroxynaphthalene-2-carbonyl)amino]urea?
The InChIKey is HPGNOWVFAYSNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-2-13-7-10-15(11-8-13)21-20(26)23-22-19(25)17-12-9-14-5-3-4-6-16(14)18(17)24/h3-12,24H,2H2,1H3,(H,22,25)(H2,21,23,26).
What are the key properties of 1-(4-ethylphenyl)-3-[(1-hydroxynaphthalene-2-carbonyl)amino]urea?
1-(4-ethylphenyl)-3-[(1-hydroxynaphthalene-2-carbonyl)amino]urea has a molecular weight of 349.39 g/mol, XLogP of 3.57, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-[(1-hydroxynaphthalene-2-carbonyl)amino]urea is sourced from PubChem (CID 24819049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).