1-[(E)-1-(4-methylphenyl)ethylideneamino]-3-naphthalen-1-ylurea

C20H19N3O — CID 46839230

IUPAC1-[(E)-1-(4-methylphenyl)ethylideneamino]-3-naphthalen-1-ylurea
SMILESC/C(=N\NC(=O)Nc1cccc2ccccc12)c1ccc(C)cc1
InChIInChI=1S/C20H19N3O/c1-14-10-12-16(13-11-14)15(2)22-23-20(24)21-19-9-5-7-17-6-3-4-8-18(17)19/h3-13H,1-2H3,(H2,21,23,24)/b22-15+
InChIKeyUMSWNHHANDMZFW-PXLXIMEGSA-N
MW317.39 g/mol
LogP4.69
Rot. Bonds3

About 1-[(E)-1-(4-methylphenyl)ethylideneamino]-3-naphthalen-1-ylurea

1-[(E)-1-(4-methylphenyl)ethylideneamino]-3-naphthalen-1-ylurea (PubChem CID 46839230) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[(E)-1-(4-methylphenyl)ethylideneamino]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[(E)-1-(4-methylphenyl)ethylideneamino]-3-naphthalen-1-ylurea
PubChem CID46839230
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name1-[(E)-1-(4-methylphenyl)ethylideneamino]-3-naphthalen-1-ylurea
SMILESC/C(=N\NC(=O)Nc1cccc2ccccc12)c1ccc(C)cc1
InChIInChI=1S/C20H19N3O/c1-14-10-12-16(13-11-14)15(2)22-23-20(24)21-19-9-5-7-17-6-3-4-8-18(17)19/h3-13H,1-2H3,(H2,21,23,24)/b22-15+
InChIKeyUMSWNHHANDMZFW-PXLXIMEGSA-N
XLogP4.69
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.69
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

1-(Naphthalen-1-yl)-3-(m-tolyl)urea
CID 4196307
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-Biphenyl-4-yl-ethanone, O-(1-naphthylaminocarbonyl)oxime
CID 44482525
1-Phenylethanone N-phenylsemicarbazone
CID 9584792
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
1-(2,5-dimethylphenyl)-3-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]thiourea
CID 9688468
N-(naphthalen-1-yl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 3812990
1-phenyl-1-propanone N-phenylsemicarbazone
CID 6944388
N-(2-Methylphenyl)-N'-1-naphthalenylurea
CID 2189793

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-(4-methylphenyl)ethylideneamino]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[(E)-1-(4-methylphenyl)ethylideneamino]-3-naphthalen-1-ylurea (CID 46839230) is 1-[(E)-1-(4-methylphenyl)ethylideneamino]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[(E)-1-(4-methylphenyl)ethylideneamino]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[(E)-1-(4-methylphenyl)ethylideneamino]-3-naphthalen-1-ylurea is C/C(=N\NC(=O)Nc1cccc2ccccc12)c1ccc(C)cc1.
What is the InChIKey of 1-[(E)-1-(4-methylphenyl)ethylideneamino]-3-naphthalen-1-ylurea?
The InChIKey is UMSWNHHANDMZFW-PXLXIMEGSA-N. The full InChI is InChI=1S/C20H19N3O/c1-14-10-12-16(13-11-14)15(2)22-23-20(24)21-19-9-5-7-17-6-3-4-8-18(17)19/h3-13H,1-2H3,(H2,21,23,24)/b22-15+.
What are the key properties of 1-[(E)-1-(4-methylphenyl)ethylideneamino]-3-naphthalen-1-ylurea?
1-[(E)-1-(4-methylphenyl)ethylideneamino]-3-naphthalen-1-ylurea has a molecular weight of 317.39 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-(4-methylphenyl)ethylideneamino]-3-naphthalen-1-ylurea is sourced from PubChem (CID 46839230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).