2-anilino-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide

C16H17N3O — CID 7638625

IUPAC2-anilino-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
SMILESCc1ccccc1/C=N\NC(=O)CNc1ccccc1
InChIInChI=1S/C16H17N3O/c1-13-7-5-6-8-14(13)11-18-19-16(20)12-17-15-9-3-2-4-10-15/h2-11,17H,12H2,1H3,(H,19,20)/b18-11-
InChIKeyZHSJRYCXAOZMJN-WQRHYEAKSA-N
MW267.33 g/mol
LogP2.56
Rot. Bonds5

About 2-anilino-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide

2-anilino-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide (PubChem CID 7638625) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-anilino-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-anilino-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
PubChem CID7638625
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-anilino-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
SMILESCc1ccccc1/C=N\NC(=O)CNc1ccccc1
InChIInChI=1S/C16H17N3O/c1-13-7-5-6-8-14(13)11-18-19-16(20)12-17-15-9-3-2-4-10-15/h2-11,17H,12H2,1H3,(H,19,20)/b18-11-
InChIKeyZHSJRYCXAOZMJN-WQRHYEAKSA-N
XLogP2.56
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-(2-methylanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 870845
2-anilino-N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]acetamide
CID 136736930
2-(2-chloroanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 968113
2-(4-methylanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 5393375
N-(benzylideneamino)-2-(4-methylanilino)acetamide
CID 689462
N-[(E)-(2-methylphenyl)methylideneamino]-3-phenylpropanamide
CID 5338610
2-anilino-N-[(Z)-(4-anilinophenyl)methylideneamino]acetamide
CID 7601999
2-anilino-N-[(Z)-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]acetamide
CID 7933354
N-[(2,3-dichlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 872216
2-anilino-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135490294
2-anilino-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 136662896
2-anilino-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide
CID 135641150

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-anilino-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide (CID 7638625) is 2-anilino-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-anilino-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-anilino-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide is Cc1ccccc1/C=N\NC(=O)CNc1ccccc1.
What is the InChIKey of 2-anilino-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide?
The InChIKey is ZHSJRYCXAOZMJN-WQRHYEAKSA-N. The full InChI is InChI=1S/C16H17N3O/c1-13-7-5-6-8-14(13)11-18-19-16(20)12-17-15-9-3-2-4-10-15/h2-11,17H,12H2,1H3,(H,19,20)/b18-11-.
What are the key properties of 2-anilino-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide?
2-anilino-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide has a molecular weight of 267.33 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 7638625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).