1-(2,5-dimethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea

C20H19N3O3 — CID 24818643

IUPAC1-(2,5-dimethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea
SMILESCc1ccc(C)c(NC(=O)NNC(=O)c2cc3ccccc3cc2O)c1
InChIInChI=1S/C20H19N3O3/c1-12-7-8-13(2)17(9-12)21-20(26)23-22-19(25)16-10-14-5-3-4-6-15(14)11-18(16)24/h3-11,24H,1-2H3,(H,22,25)(H2,21,23,26)
InChIKeyAFFRUAQEXRFBTN-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.63
Rot. Bonds2

About 1-(2,5-dimethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea

1-(2,5-dimethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea (PubChem CID 24818643) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea
PubChem CID24818643
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name1-(2,5-dimethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea
SMILESCc1ccc(C)c(NC(=O)NNC(=O)c2cc3ccccc3cc2O)c1
InChIInChI=1S/C20H19N3O3/c1-12-7-8-13(2)17(9-12)21-20(26)23-22-19(25)16-10-14-5-3-4-6-15(14)11-18(16)24/h3-11,24H,1-2H3,(H,22,25)(H2,21,23,26)
InChIKeyAFFRUAQEXRFBTN-UHFFFAOYSA-N
XLogP3.63
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.63
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-(2,5-dimethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea (CID 24818643) is 1-(2,5-dimethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea is Cc1ccc(C)c(NC(=O)NNC(=O)c2cc3ccccc3cc2O)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea?
The InChIKey is AFFRUAQEXRFBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-12-7-8-13(2)17(9-12)21-20(26)23-22-19(25)16-10-14-5-3-4-6-15(14)11-18(16)24/h3-11,24H,1-2H3,(H,22,25)(H2,21,23,26).
What are the key properties of 1-(2,5-dimethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea?
1-(2,5-dimethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea has a molecular weight of 349.39 g/mol, XLogP of 3.63, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea is sourced from PubChem (CID 24818643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).