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

C16H17N3O2 — CID 4080719

IUPACN-[1-(3-aminophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
SMILESCC(=NNC(=O)C(O)c1ccccc1)c1cccc(N)c1
InChIInChI=1S/C16H17N3O2/c1-11(13-8-5-9-14(17)10-13)18-19-16(21)15(20)12-6-3-2-4-7-12/h2-10,15,20H,17H2,1H3,(H,19,21)
InChIKeyGIVXGIFNRLBMCB-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.84
Rot. Bonds4

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

N-[1-(3-aminophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide (PubChem CID 4080719) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
PubChem CID4080719
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[1-(3-aminophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
SMILESCC(=NNC(=O)C(O)c1ccccc1)c1cccc(N)c1
InChIInChI=1S/C16H17N3O2/c1-11(13-8-5-9-14(17)10-13)18-19-16(21)15(20)12-6-3-2-4-7-12/h2-10,15,20H,17H2,1H3,(H,19,21)
InChIKeyGIVXGIFNRLBMCB-UHFFFAOYSA-N
XLogP1.84
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide
CID 19685958
(2R)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 6940689
(2R)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 6948447
(2S)-N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 6341466
N-[1-(3-aminophenyl)ethylideneamino]-2-phenylacetamide
CID 968186
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide
CID 5416580
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-iodobenzamide
CID 5376677
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-anilinoacetamide
CID 7933322
4-[(2Z)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzoic acid
CID 9013147
N-[1-(3-aminophenyl)ethylideneamino]cyclopropanecarboxamide
CID 922383
N-[(E)-1-(3-aminophenyl)ethylideneamino]-4-(dimethylamino)benzamide
CID 5336340
N-[1-(3-aminophenyl)ethylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide
CID 4527145

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-[1-(3-aminophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide (CID 4080719) is N-[1-(3-aminophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[1-(3-aminophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[1-(3-aminophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide is CC(=NNC(=O)C(O)c1ccccc1)c1cccc(N)c1.
What is the InChIKey of N-[1-(3-aminophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide?
The InChIKey is GIVXGIFNRLBMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11(13-8-5-9-14(17)10-13)18-19-16(21)15(20)12-6-3-2-4-7-12/h2-10,15,20H,17H2,1H3,(H,19,21).
What are the key properties of N-[1-(3-aminophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide?
N-[1-(3-aminophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide has a molecular weight of 283.33 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 4080719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).