1-naphthalen-1-yl-3-[(E)-1-phenylethylideneamino]urea

C19H17N3O — CID 46839095

IUPAC1-naphthalen-1-yl-3-[(E)-1-phenylethylideneamino]urea
SMILESC/C(=N\NC(=O)Nc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C19H17N3O/c1-14(15-8-3-2-4-9-15)21-22-19(23)20-18-13-7-11-16-10-5-6-12-17(16)18/h2-13H,1H3,(H2,20,22,23)/b21-14+
InChIKeyAMVLXZCHLZXNBS-KGENOOAVSA-N
MW303.37 g/mol
LogP4.39
Rot. Bonds3

About 1-naphthalen-1-yl-3-[(E)-1-phenylethylideneamino]urea

1-naphthalen-1-yl-3-[(E)-1-phenylethylideneamino]urea (PubChem CID 46839095) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-[(E)-1-phenylethylideneamino]urea.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-[(E)-1-phenylethylideneamino]urea
PubChem CID46839095
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name1-naphthalen-1-yl-3-[(E)-1-phenylethylideneamino]urea
SMILESC/C(=N\NC(=O)Nc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C19H17N3O/c1-14(15-8-3-2-4-9-15)21-22-19(23)20-18-13-7-11-16-10-5-6-12-17(16)18/h2-13H,1H3,(H2,20,22,23)/b21-14+
InChIKeyAMVLXZCHLZXNBS-KGENOOAVSA-N
XLogP4.39
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 295006
Urea, 1-(1-naphthyl)-3-phenyl-
CID 239525
1-(Naphthalen-1-yl)-3-(m-tolyl)urea
CID 4196307
1,3-Bis(1-naphthyl)urea
CID 69087
1-phenyl-3-[(E)-1-phenylhexylideneamino]urea
CID 6373500
3-Pentyl-4-phenyl-4,5-dihydro-pyrazole-1-carboxylic acid naphthalen-1-ylamide
CID 24863532
1-Phenylethanone N-phenylsemicarbazone
CID 9584792
1,1-Dimethyl-4-(1-naphthyl)semicarbazide
CID 226635
1-[[4-(Aziridin-1-yl)-4-methylpentan-2-ylidene]amino]-3-naphthalen-1-ylurea
CID 265336
1-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-phenylurea
CID 5407232
2-methyl-1-phenyl-1-propanone N-phenylsemicarbazone
CID 5411019
2-(1-naphthylamino)-N'-[(1E)-1-phenylethylidene]acetohydrazide
CID 9598224

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-[(E)-1-phenylethylideneamino]urea?
The IUPAC name of 1-naphthalen-1-yl-3-[(E)-1-phenylethylideneamino]urea (CID 46839095) is 1-naphthalen-1-yl-3-[(E)-1-phenylethylideneamino]urea.
What is the SMILES notation for 1-naphthalen-1-yl-3-[(E)-1-phenylethylideneamino]urea?
The canonical SMILES for 1-naphthalen-1-yl-3-[(E)-1-phenylethylideneamino]urea is C/C(=N\NC(=O)Nc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of 1-naphthalen-1-yl-3-[(E)-1-phenylethylideneamino]urea?
The InChIKey is AMVLXZCHLZXNBS-KGENOOAVSA-N. The full InChI is InChI=1S/C19H17N3O/c1-14(15-8-3-2-4-9-15)21-22-19(23)20-18-13-7-11-16-10-5-6-12-17(16)18/h2-13H,1H3,(H2,20,22,23)/b21-14+.
What are the key properties of 1-naphthalen-1-yl-3-[(E)-1-phenylethylideneamino]urea?
1-naphthalen-1-yl-3-[(E)-1-phenylethylideneamino]urea has a molecular weight of 303.37 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-[(E)-1-phenylethylideneamino]urea is sourced from PubChem (CID 46839095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).