N-(benzylideneamino)-2-(4-methylanilino)acetamide

C16H17N3O — CID 689462

IUPACN-(benzylideneamino)-2-(4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)NN=Cc2ccccc2)cc1
InChIInChI=1S/C16H17N3O/c1-13-7-9-15(10-8-13)17-12-16(20)19-18-11-14-5-3-2-4-6-14/h2-11,17H,12H2,1H3,(H,19,20)
InChIKeyXENFSUMMQAUNBM-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.56
Rot. Bonds5

About N-(benzylideneamino)-2-(4-methylanilino)acetamide

N-(benzylideneamino)-2-(4-methylanilino)acetamide (PubChem CID 689462) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(benzylideneamino)-2-(4-methylanilino)acetamide.

Molecular Properties

Compound NameN-(benzylideneamino)-2-(4-methylanilino)acetamide
PubChem CID689462
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-(benzylideneamino)-2-(4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)NN=Cc2ccccc2)cc1
InChIInChI=1S/C16H17N3O/c1-13-7-9-15(10-8-13)17-12-16(20)19-18-11-14-5-3-2-4-6-14/h2-11,17H,12H2,1H3,(H,19,20)
InChIKeyXENFSUMMQAUNBM-UHFFFAOYSA-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

N-[(4-chlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 689465
N-(benzylideneamino)-4-(4-methylanilino)butanamide
CID 3551130
[4-[[[2-(4-methylanilino)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 1202103
2-anilino-N-[(Z)-(4-anilinophenyl)methylideneamino]acetamide
CID 7601999
N-(benzylideneamino)-2-(2,4-dimethylanilino)acetamide
CID 967979
methyl 4-[(Z)-[[2-(4-methylanilino)acetyl]hydrazinylidene]methyl]benzoate
CID 5401590
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)acetamide;hydrochloride
CID 163329045
N-[(3-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 689442
2-anilino-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 7784431
2-(4-methylanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 5393375
2-anilino-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 7638625
2-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 690289

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-2-(4-methylanilino)acetamide?
The IUPAC name of N-(benzylideneamino)-2-(4-methylanilino)acetamide (CID 689462) is N-(benzylideneamino)-2-(4-methylanilino)acetamide.
What is the SMILES notation for N-(benzylideneamino)-2-(4-methylanilino)acetamide?
The canonical SMILES for N-(benzylideneamino)-2-(4-methylanilino)acetamide is Cc1ccc(NCC(=O)NN=Cc2ccccc2)cc1.
What is the InChIKey of N-(benzylideneamino)-2-(4-methylanilino)acetamide?
The InChIKey is XENFSUMMQAUNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-13-7-9-15(10-8-13)17-12-16(20)19-18-11-14-5-3-2-4-6-14/h2-11,17H,12H2,1H3,(H,19,20).
What are the key properties of N-(benzylideneamino)-2-(4-methylanilino)acetamide?
N-(benzylideneamino)-2-(4-methylanilino)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 N-(benzylideneamino)-2-(4-methylanilino)acetamide is sourced from PubChem (CID 689462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).