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

C19H17N3O3 — CID 24818767

IUPAC1-[(1-hydroxynaphthalene-2-carbonyl)amino]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NNC(=O)c2ccc3ccccc3c2O)c1
InChIInChI=1S/C19H17N3O3/c1-12-5-4-7-14(11-12)20-19(25)22-21-18(24)16-10-9-13-6-2-3-8-15(13)17(16)23/h2-11,23H,1H3,(H,21,24)(H2,20,22,25)
InChIKeyULGJIHZFNUEVAG-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.32
Rot. Bonds2

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

1-[(1-hydroxynaphthalene-2-carbonyl)amino]-3-(3-methylphenyl)urea (PubChem CID 24818767) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-[(1-hydroxynaphthalene-2-carbonyl)amino]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[(1-hydroxynaphthalene-2-carbonyl)amino]-3-(3-methylphenyl)urea
PubChem CID24818767
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name1-[(1-hydroxynaphthalene-2-carbonyl)amino]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NNC(=O)c2ccc3ccccc3c2O)c1
InChIInChI=1S/C19H17N3O3/c1-12-5-4-7-14(11-12)20-19(25)22-21-18(24)16-10-9-13-6-2-3-8-15(13)17(16)23/h2-11,23H,1H3,(H,21,24)(H2,20,22,25)
InChIKeyULGJIHZFNUEVAG-UHFFFAOYSA-N
XLogP3.32
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.32
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-[(1-hydroxynaphthalene-2-carbonyl)amino]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[(1-hydroxynaphthalene-2-carbonyl)amino]-3-(3-methylphenyl)urea (CID 24818767) is 1-[(1-hydroxynaphthalene-2-carbonyl)amino]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[(1-hydroxynaphthalene-2-carbonyl)amino]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[(1-hydroxynaphthalene-2-carbonyl)amino]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)NNC(=O)c2ccc3ccccc3c2O)c1.
What is the InChIKey of 1-[(1-hydroxynaphthalene-2-carbonyl)amino]-3-(3-methylphenyl)urea?
The InChIKey is ULGJIHZFNUEVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-12-5-4-7-14(11-12)20-19(25)22-21-18(24)16-10-9-13-6-2-3-8-15(13)17(16)23/h2-11,23H,1H3,(H,21,24)(H2,20,22,25).
What are the key properties of 1-[(1-hydroxynaphthalene-2-carbonyl)amino]-3-(3-methylphenyl)urea?
1-[(1-hydroxynaphthalene-2-carbonyl)amino]-3-(3-methylphenyl)urea has a molecular weight of 335.36 g/mol, XLogP of 3.32, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxynaphthalene-2-carbonyl)amino]-3-(3-methylphenyl)urea is sourced from PubChem (CID 24818767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).