N-[1-(3-aminophenyl)ethylideneamino]-2-phenylacetamide

C16H17N3O — CID 968186

IUPACN-[1-(3-aminophenyl)ethylideneamino]-2-phenylacetamide
SMILESCC(=NNC(=O)Cc1ccccc1)c1cccc(N)c1
InChIInChI=1S/C16H17N3O/c1-12(14-8-5-9-15(17)11-14)18-19-16(20)10-13-6-3-2-4-7-13/h2-9,11H,10,17H2,1H3,(H,19,20)
InChIKeyLFTDQBLLXCMPAD-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.35
Rot. Bonds4

About N-[1-(3-aminophenyl)ethylideneamino]-2-phenylacetamide

N-[1-(3-aminophenyl)ethylideneamino]-2-phenylacetamide (PubChem CID 968186) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethylideneamino]-2-phenylacetamide
PubChem CID968186
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-[1-(3-aminophenyl)ethylideneamino]-2-phenylacetamide
SMILESCC(=NNC(=O)Cc1ccccc1)c1cccc(N)c1
InChIInChI=1S/C16H17N3O/c1-12(14-8-5-9-15(17)11-14)18-19-16(20)10-13-6-3-2-4-7-13/h2-9,11H,10,17H2,1H3,(H,19,20)
InChIKeyLFTDQBLLXCMPAD-UHFFFAOYSA-N
XLogP2.35
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

N'-[1-(3-aminophenyl)ethylideneamino]-N-benzylbutanediamide
CID 3960617
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-anilinoacetamide
CID 7933322
N,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide
CID 19685958
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylacetamide
CID 5410906
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methylanilino)acetamide
CID 6169324
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 5419932
N-[1-(3-aminophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 4080719
N-[(Z)-1-(4-ethylphenyl)ethylideneamino]-2-phenylacetamide
CID 6343025
N-[1-(4-bromophenyl)ethylideneamino]-2-phenylacetamide
CID 780756
N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(4-methylanilino)acetamide
CID 16553710
N-[1-(3-aminophenyl)ethylideneamino]-2-naphthalen-1-yloxyacetamide
CID 922110
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 7966500

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethylideneamino]-2-phenylacetamide?
The IUPAC name of N-[1-(3-aminophenyl)ethylideneamino]-2-phenylacetamide (CID 968186) is N-[1-(3-aminophenyl)ethylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[1-(3-aminophenyl)ethylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[1-(3-aminophenyl)ethylideneamino]-2-phenylacetamide is CC(=NNC(=O)Cc1ccccc1)c1cccc(N)c1.
What is the InChIKey of N-[1-(3-aminophenyl)ethylideneamino]-2-phenylacetamide?
The InChIKey is LFTDQBLLXCMPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-12(14-8-5-9-15(17)11-14)18-19-16(20)10-13-6-3-2-4-7-13/h2-9,11H,10,17H2,1H3,(H,19,20).
What are the key properties of N-[1-(3-aminophenyl)ethylideneamino]-2-phenylacetamide?
N-[1-(3-aminophenyl)ethylideneamino]-2-phenylacetamide has a molecular weight of 267.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)ethylideneamino]-2-phenylacetamide is sourced from PubChem (CID 968186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).