3-(6-methanehydrazonoylnaphthalen-2-yl)-1-methyl-1-phenylurea

C19H18N4O — CID 70059910

IUPAC3-(6-methanehydrazonoylnaphthalen-2-yl)-1-methyl-1-phenylurea
SMILESCN(C(=O)Nc1ccc2cc(C=NN)ccc2c1)c1ccccc1
InChIInChI=1S/C19H18N4O/c1-23(18-5-3-2-4-6-18)19(24)22-17-10-9-15-11-14(13-21-20)7-8-16(15)12-17/h2-13H,20H2,1H3,(H,22,24)
InChIKeyZWJAROXESBMMMV-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.80
Rot. Bonds3

About 3-(6-methanehydrazonoylnaphthalen-2-yl)-1-methyl-1-phenylurea

3-(6-methanehydrazonoylnaphthalen-2-yl)-1-methyl-1-phenylurea (PubChem CID 70059910) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-(6-methanehydrazonoylnaphthalen-2-yl)-1-methyl-1-phenylurea.

Molecular Properties

Compound Name3-(6-methanehydrazonoylnaphthalen-2-yl)-1-methyl-1-phenylurea
PubChem CID70059910
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name3-(6-methanehydrazonoylnaphthalen-2-yl)-1-methyl-1-phenylurea
SMILESCN(C(=O)Nc1ccc2cc(C=NN)ccc2c1)c1ccccc1
InChIInChI=1S/C19H18N4O/c1-23(18-5-3-2-4-6-18)19(24)22-17-10-9-15-11-14(13-21-20)7-8-16(15)12-17/h2-13H,20H2,1H3,(H,22,24)
InChIKeyZWJAROXESBMMMV-UHFFFAOYSA-N
XLogP3.80
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[(Phenylcarbamoyl)amino]naphthalene-2-Carboximidamide
CID 21706843
1-[2-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]propan-2-yl]-3-naphthalen-2-ylurea
CID 71459061
1,1-Dibenzyl-3-(3,4-xylyl)urea
CID 3687938
1-(Naphthalen-2-yl)-3-(2-(3-(prop-1-en-2-yl)phenyl)propan-2-yl)urea
CID 67473122
1-[2-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]propan-2-yl]-3-naphthalen-2-ylurea
CID 71453699
1-Ethyl-3-naphthalen-1-yl-1-phenylurea
CID 292801
2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-((S)-1-naphthalen-2-yl-ethyl)-acetamide
CID 44348014
1-(1-Naphthalenylmethyl)-3-phenylurea
CID 2302746
1-Cyclohexyl-3-naphthalen-2-ylurea
CID 257402
1-Hexyl-3-naphthalen-2-ylurea
CID 11054753
1-(Cyclohexylmethyl)-3-naphthalen-2-ylurea
CID 11832885
1-[(E)-1-naphthalen-2-ylethylideneamino]-3-phenylurea
CID 9590697

Frequently Asked Questions

What is the IUPAC name of 3-(6-methanehydrazonoylnaphthalen-2-yl)-1-methyl-1-phenylurea?
The IUPAC name of 3-(6-methanehydrazonoylnaphthalen-2-yl)-1-methyl-1-phenylurea (CID 70059910) is 3-(6-methanehydrazonoylnaphthalen-2-yl)-1-methyl-1-phenylurea.
What is the SMILES notation for 3-(6-methanehydrazonoylnaphthalen-2-yl)-1-methyl-1-phenylurea?
The canonical SMILES for 3-(6-methanehydrazonoylnaphthalen-2-yl)-1-methyl-1-phenylurea is CN(C(=O)Nc1ccc2cc(C=NN)ccc2c1)c1ccccc1.
What is the InChIKey of 3-(6-methanehydrazonoylnaphthalen-2-yl)-1-methyl-1-phenylurea?
The InChIKey is ZWJAROXESBMMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-23(18-5-3-2-4-6-18)19(24)22-17-10-9-15-11-14(13-21-20)7-8-16(15)12-17/h2-13H,20H2,1H3,(H,22,24).
What are the key properties of 3-(6-methanehydrazonoylnaphthalen-2-yl)-1-methyl-1-phenylurea?
3-(6-methanehydrazonoylnaphthalen-2-yl)-1-methyl-1-phenylurea has a molecular weight of 318.38 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methanehydrazonoylnaphthalen-2-yl)-1-methyl-1-phenylurea is sourced from PubChem (CID 70059910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).