N-[(4-aminophenyl)methylideneamino]acetamide

C9H11N3O — CID 123694049

IUPACN-[(4-aminophenyl)methylideneamino]acetamide
SMILESCC(=O)NN=Cc1ccc(N)cc1
InChIInChI=1S/C9H11N3O/c1-7(13)12-11-6-8-2-4-9(10)5-3-8/h2-6H,10H2,1H3,(H,12,13)
InChIKeyGIVITRIENGAISO-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.74
Rot. Bonds2

About N-[(4-aminophenyl)methylideneamino]acetamide

N-[(4-aminophenyl)methylideneamino]acetamide (PubChem CID 123694049) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is N-[(4-aminophenyl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methylideneamino]acetamide
PubChem CID123694049
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC NameN-[(4-aminophenyl)methylideneamino]acetamide
SMILESCC(=O)NN=Cc1ccc(N)cc1
InChIInChI=1S/C9H11N3O/c1-7(13)12-11-6-8-2-4-9(10)5-3-8/h2-6H,10H2,1H3,(H,12,13)
InChIKeyGIVITRIENGAISO-UHFFFAOYSA-N
XLogP0.74
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil(14)', 'substructure': 'N/A'}, {'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

4-amino-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 136742442
4-amino-N-[[4-(hydroxyiminomethyl)phenyl]methylideneamino]benzamide
CID 137178269
N-[(Z)-[4-(4-methylphenyl)sulfanylphenyl]methylideneamino]acetamide
CID 126249111
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide;hydrate
CID 139076968
N-[(4-aminophenyl)methylideneamino]-2-prop-1-enylpenta-2,4-dienamide
CID 123733247
2-(4-aminophenyl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 136789368
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135491260
4-amino-N-[(Z)-benzylideneamino]benzamide
CID 5398118
4-amino-N-[(Z)-[3-[(E)-[(4-aminobenzoyl)hydrazinylidene]methyl]-5-[(Z)-[(4-aminobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 98297741
N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide
CID 9074224
N-[(Z)-(4-pyridin-2-ylphenyl)methylideneamino]acetamide
CID 54182918
4-amino-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
CID 5391862

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methylideneamino]acetamide?
The IUPAC name of N-[(4-aminophenyl)methylideneamino]acetamide (CID 123694049) is N-[(4-aminophenyl)methylideneamino]acetamide.
What is the SMILES notation for N-[(4-aminophenyl)methylideneamino]acetamide?
The canonical SMILES for N-[(4-aminophenyl)methylideneamino]acetamide is CC(=O)NN=Cc1ccc(N)cc1.
What is the InChIKey of N-[(4-aminophenyl)methylideneamino]acetamide?
The InChIKey is GIVITRIENGAISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-7(13)12-11-6-8-2-4-9(10)5-3-8/h2-6H,10H2,1H3,(H,12,13).
What are the key properties of N-[(4-aminophenyl)methylideneamino]acetamide?
N-[(4-aminophenyl)methylideneamino]acetamide has a molecular weight of 177.21 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methylideneamino]acetamide is sourced from PubChem (CID 123694049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).