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

C20H17N3O3 — CID 24820068

IUPAC1-(3-acetylphenyl)-3-(naphthalene-2-carbonylamino)urea
SMILESCC(=O)c1cccc(NC(=O)NNC(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C20H17N3O3/c1-13(24)15-7-4-8-18(12-15)21-20(26)23-22-19(25)17-10-9-14-5-2-3-6-16(14)11-17/h2-12H,1H3,(H,22,25)(H2,21,23,26)
InChIKeyYKXOYHWYFLNNFH-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.51
Rot. Bonds3

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

1-(3-acetylphenyl)-3-(naphthalene-2-carbonylamino)urea (PubChem CID 24820068) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-(naphthalene-2-carbonylamino)urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-(naphthalene-2-carbonylamino)urea
PubChem CID24820068
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name1-(3-acetylphenyl)-3-(naphthalene-2-carbonylamino)urea
SMILESCC(=O)c1cccc(NC(=O)NNC(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C20H17N3O3/c1-13(24)15-7-4-8-18(12-15)21-20(26)23-22-19(25)17-10-9-14-5-2-3-6-16(14)11-17/h2-12H,1H3,(H,22,25)(H2,21,23,26)
InChIKeyYKXOYHWYFLNNFH-UHFFFAOYSA-N
XLogP3.51
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.51
H-Bond Donors ≤ 53
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-(3-acetylphenyl)-3-(naphthalene-2-carbonylamino)urea?
The IUPAC name of 1-(3-acetylphenyl)-3-(naphthalene-2-carbonylamino)urea (CID 24820068) is 1-(3-acetylphenyl)-3-(naphthalene-2-carbonylamino)urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-(naphthalene-2-carbonylamino)urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-(naphthalene-2-carbonylamino)urea is CC(=O)c1cccc(NC(=O)NNC(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-(naphthalene-2-carbonylamino)urea?
The InChIKey is YKXOYHWYFLNNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-13(24)15-7-4-8-18(12-15)21-20(26)23-22-19(25)17-10-9-14-5-2-3-6-16(14)11-17/h2-12H,1H3,(H,22,25)(H2,21,23,26).
What are the key properties of 1-(3-acetylphenyl)-3-(naphthalene-2-carbonylamino)urea?
1-(3-acetylphenyl)-3-(naphthalene-2-carbonylamino)urea has a molecular weight of 347.37 g/mol, XLogP of 3.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-(naphthalene-2-carbonylamino)urea is sourced from PubChem (CID 24820068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).