N-[(Z)-(4-methylphenyl)methylideneamino]acetamide

C10H12N2O — CID 5385733

IUPACN-[(Z)-(4-methylphenyl)methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1ccc(C)cc1
InChIInChI=1S/C10H12N2O/c1-8-3-5-10(6-4-8)7-11-12-9(2)13/h3-7H,1-2H3,(H,12,13)/b11-7-
InChIKeyOTXOLASULYVVKB-XFFZJAGNSA-N
MW176.22 g/mol
LogP1.47
Rot. Bonds2

About N-[(Z)-(4-methylphenyl)methylideneamino]acetamide

N-[(Z)-(4-methylphenyl)methylideneamino]acetamide (PubChem CID 5385733) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is N-[(Z)-(4-methylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-(4-methylphenyl)methylideneamino]acetamide
PubChem CID5385733
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC NameN-[(Z)-(4-methylphenyl)methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1ccc(C)cc1
InChIInChI=1S/C10H12N2O/c1-8-3-5-10(6-4-8)7-11-12-9(2)13/h3-7H,1-2H3,(H,12,13)/b11-7-
InChIKeyOTXOLASULYVVKB-XFFZJAGNSA-N
XLogP1.47
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Ethanedioic acid, 1,2-bis[2-(phenylmethylene)hydrazide]
CID 6861531
6-(4-Methylphenyl)pyridazin-3-ol
CID 687205
Benzaldehyde semicarbazone
CID 6861419
methyl 2-[(E)-phenylmethylidene]-1-hydrazinecarboxylate
CID 9557398
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N'-(4-methylbenzylidene)heptanohydrazide
CID 9657868
N-[(E)-4-phenylbutan-2-ylideneamino]acetamide
CID 9640758
Acetic acid, cyano-, (phenylmethylene)hydrazide, (E)-
CID 6869220
4-Methylbenzaldehyde semicarbazone
CID 5705538
5-Phenylpyridazin-3(2H)-one
CID 12864815
Ethanedioic acid, bis((phenylmethylene)hydrazide)
CID 96146
N,N'-bis[(2-methyl-3-phenylprop-2-enylidene)amino]oxamide
CID 243462
2,2-dibromo-1-methyl-N'-(4-methylbenzylidene)cyclopropanecarbohydrazide
CID 5348367

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-methylphenyl)methylideneamino]acetamide?
The IUPAC name of N-[(Z)-(4-methylphenyl)methylideneamino]acetamide (CID 5385733) is N-[(Z)-(4-methylphenyl)methylideneamino]acetamide.
What is the SMILES notation for N-[(Z)-(4-methylphenyl)methylideneamino]acetamide?
The canonical SMILES for N-[(Z)-(4-methylphenyl)methylideneamino]acetamide is CC(=O)N/N=C\c1ccc(C)cc1.
What is the InChIKey of N-[(Z)-(4-methylphenyl)methylideneamino]acetamide?
The InChIKey is OTXOLASULYVVKB-XFFZJAGNSA-N. The full InChI is InChI=1S/C10H12N2O/c1-8-3-5-10(6-4-8)7-11-12-9(2)13/h3-7H,1-2H3,(H,12,13)/b11-7-.
What are the key properties of N-[(Z)-(4-methylphenyl)methylideneamino]acetamide?
N-[(Z)-(4-methylphenyl)methylideneamino]acetamide has a molecular weight of 176.22 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-methylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 5385733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).