1-(3-methylphenyl)-3-(naphthalene-2-carbonylamino)urea

C19H17N3O2 — CID 17283549

IUPAC1-(3-methylphenyl)-3-(naphthalene-2-carbonylamino)urea
SMILESCc1cccc(NC(=O)NNC(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C19H17N3O2/c1-13-5-4-8-17(11-13)20-19(24)22-21-18(23)16-10-9-14-6-2-3-7-15(14)12-16/h2-12H,1H3,(H,21,23)(H2,20,22,24)
InChIKeyNKXRKMSRIDNATC-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.61
Rot. Bonds2

About 1-(3-methylphenyl)-3-(naphthalene-2-carbonylamino)urea

1-(3-methylphenyl)-3-(naphthalene-2-carbonylamino)urea (PubChem CID 17283549) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-(naphthalene-2-carbonylamino)urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-(naphthalene-2-carbonylamino)urea
PubChem CID17283549
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name1-(3-methylphenyl)-3-(naphthalene-2-carbonylamino)urea
SMILESCc1cccc(NC(=O)NNC(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C19H17N3O2/c1-13-5-4-8-17(11-13)20-19(24)22-21-18(23)16-10-9-14-6-2-3-7-15(14)12-16/h2-12H,1H3,(H,21,23)(H2,20,22,24)
InChIKeyNKXRKMSRIDNATC-UHFFFAOYSA-N
XLogP3.61
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-methylphenyl)-3-(naphthalene-2-carbonylamino)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-(naphthalene-2-carbonylamino)urea?
The IUPAC name of 1-(3-methylphenyl)-3-(naphthalene-2-carbonylamino)urea (CID 17283549) is 1-(3-methylphenyl)-3-(naphthalene-2-carbonylamino)urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-(naphthalene-2-carbonylamino)urea?
The canonical SMILES for 1-(3-methylphenyl)-3-(naphthalene-2-carbonylamino)urea is Cc1cccc(NC(=O)NNC(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-(naphthalene-2-carbonylamino)urea?
The InChIKey is NKXRKMSRIDNATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-13-5-4-8-17(11-13)20-19(24)22-21-18(23)16-10-9-14-6-2-3-7-15(14)12-16/h2-12H,1H3,(H,21,23)(H2,20,22,24).
What are the key properties of 1-(3-methylphenyl)-3-(naphthalene-2-carbonylamino)urea?
1-(3-methylphenyl)-3-(naphthalene-2-carbonylamino)urea has a molecular weight of 319.36 g/mol, XLogP of 3.61, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-(naphthalene-2-carbonylamino)urea is sourced from PubChem (CID 17283549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).