N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-anilinoacetamide

C16H18N4O — CID 7933322

IUPACN-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-anilinoacetamide
SMILESC/C(=N/NC(=O)CNc1ccccc1)c1cccc(N)c1
InChIInChI=1S/C16H18N4O/c1-12(13-6-5-7-14(17)10-13)19-20-16(21)11-18-15-8-3-2-4-9-15/h2-10,18H,11,17H2,1H3,(H,20,21)/b19-12-
InChIKeyMHWUAHICPIKREZ-UNOMPAQXSA-N
MW282.35 g/mol
LogP2.22
Rot. Bonds5

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

N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-anilinoacetamide (PubChem CID 7933322) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-anilinoacetamide.

Molecular Properties

Compound NameN-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-anilinoacetamide
PubChem CID7933322
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-anilinoacetamide
SMILESC/C(=N/NC(=O)CNc1ccccc1)c1cccc(N)c1
InChIInChI=1S/C16H18N4O/c1-12(13-6-5-7-14(17)10-13)19-20-16(21)11-18-15-8-3-2-4-9-15/h2-10,18H,11,17H2,1H3,(H,20,21)/b19-12-
InChIKeyMHWUAHICPIKREZ-UNOMPAQXSA-N
XLogP2.22
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.22
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-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(4-methylanilino)acetamide
CID 16553710
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methylanilino)acetamide
CID 6169324
N-[1-(3-aminophenyl)ethylideneamino]-2-phenylacetamide
CID 968186
N,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide
CID 19685958
N'-[1-(3-aminophenyl)ethylideneamino]-N-benzylbutanediamide
CID 3960617
2-anilino-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 7784236
2-anilino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]acetamide
CID 7933313
2-(4-ethoxyanilino)-N-[(E)-1-phenylethylideneamino]acetamide
CID 5421634
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 5419932
2-anilino-N-[(E)-1-(3-methoxy-4-methylsulfonylphenyl)ethylideneamino]acetamide
CID 48917207
N-[1-(3-aminophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 4080719
N-[1-(3-aminophenyl)ethylideneamino]-2-naphthalen-1-yloxyacetamide
CID 922110

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-anilinoacetamide?
The IUPAC name of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-anilinoacetamide (CID 7933322) is N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-anilinoacetamide.
What is the SMILES notation for N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-anilinoacetamide?
The canonical SMILES for N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-anilinoacetamide is C/C(=N/NC(=O)CNc1ccccc1)c1cccc(N)c1.
What is the InChIKey of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-anilinoacetamide?
The InChIKey is MHWUAHICPIKREZ-UNOMPAQXSA-N. The full InChI is InChI=1S/C16H18N4O/c1-12(13-6-5-7-14(17)10-13)19-20-16(21)11-18-15-8-3-2-4-9-15/h2-10,18H,11,17H2,1H3,(H,20,21)/b19-12-.
What are the key properties of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-anilinoacetamide?
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-anilinoacetamide has a molecular weight of 282.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-anilinoacetamide is sourced from PubChem (CID 7933322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).