1-(4-ethoxyphenyl)-3-phenyliminourea

C15H15N3O2 — CID 10730679

IUPAC1-(4-ethoxyphenyl)-3-phenyliminourea
SMILESCCOc1ccc(NC(=O)/N=N/c2ccccc2)cc1
InChIInChI=1S/C15H15N3O2/c1-2-20-14-10-8-12(9-11-14)16-15(19)18-17-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,16,19)/b18-17+
InChIKeyCVAVELBHNWQWKQ-ISLYRVAYSA-N
MW269.30 g/mol
LogP4.40
Rot. Bonds4

About 1-(4-ethoxyphenyl)-3-phenyliminourea

1-(4-ethoxyphenyl)-3-phenyliminourea (PubChem CID 10730679) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-phenyliminourea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-phenyliminourea
PubChem CID10730679
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-(4-ethoxyphenyl)-3-phenyliminourea
SMILESCCOc1ccc(NC(=O)/N=N/c2ccccc2)cc1
InChIInChI=1S/C15H15N3O2/c1-2-20-14-10-8-12(9-11-14)16-15(19)18-17-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,16,19)/b18-17+
InChIKeyCVAVELBHNWQWKQ-ISLYRVAYSA-N
XLogP4.40
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514453
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558
N-(4-ethoxyphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
CID 155007361
N-[(4-ethoxyphenyl)carbamoyl]benzamide
CID 2986057
N-(4-ethoxyphenyl)-3,3-diphenylpropanamide
CID 836173
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
(4-ethoxyphenyl)carbamoyl hydrogen carbonate
CID 23180192
N-(4-ethoxyphenyl)-2-(2-phenoxyethoxy)benzamide
CID 4954273
(3E)-1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylidene]urea
CID 142272573
4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid
CID 108874268
2-(4-ethoxyanilino)benzoic acid
CID 15247418
7-ethoxy-2-oxo-N-(4-phenyldiazenylphenyl)chromene-3-carboxamide
CID 5262935

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-phenyliminourea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-phenyliminourea (CID 10730679) is 1-(4-ethoxyphenyl)-3-phenyliminourea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-phenyliminourea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-phenyliminourea is CCOc1ccc(NC(=O)/N=N/c2ccccc2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-phenyliminourea?
The InChIKey is CVAVELBHNWQWKQ-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-2-20-14-10-8-12(9-11-14)16-15(19)18-17-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,16,19)/b18-17+.
What are the key properties of 1-(4-ethoxyphenyl)-3-phenyliminourea?
1-(4-ethoxyphenyl)-3-phenyliminourea has a molecular weight of 269.30 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-phenyliminourea is sourced from PubChem (CID 10730679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).