N-[(4-ethylphenyl)methylideneamino]-2-(3-methylanilino)acetamide

C18H21N3O — CID 3765946

IUPACN-[(4-ethylphenyl)methylideneamino]-2-(3-methylanilino)acetamide
SMILESCCc1ccc(C=NNC(=O)CNc2cccc(C)c2)cc1
InChIInChI=1S/C18H21N3O/c1-3-15-7-9-16(10-8-15)12-20-21-18(22)13-19-17-6-4-5-14(2)11-17/h4-12,19H,3,13H2,1-2H3,(H,21,22)
InChIKeyLBIRKZCAOPVGDQ-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.12
Rot. Bonds6

About N-[(4-ethylphenyl)methylideneamino]-2-(3-methylanilino)acetamide

N-[(4-ethylphenyl)methylideneamino]-2-(3-methylanilino)acetamide (PubChem CID 3765946) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methylideneamino]-2-(3-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methylideneamino]-2-(3-methylanilino)acetamide
PubChem CID3765946
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-[(4-ethylphenyl)methylideneamino]-2-(3-methylanilino)acetamide
SMILESCCc1ccc(C=NNC(=O)CNc2cccc(C)c2)cc1
InChIInChI=1S/C18H21N3O/c1-3-15-7-9-16(10-8-15)12-20-21-18(22)13-19-17-6-4-5-14(2)11-17/h4-12,19H,3,13H2,1-2H3,(H,21,22)
InChIKeyLBIRKZCAOPVGDQ-UHFFFAOYSA-N
XLogP3.12
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.12
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-[(E)-(4-ethylphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 25251521
methyl 4-[[[2-(3-methylanilino)acetyl]hydrazinylidene]methyl]benzoate
CID 825894
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 135420053
N-[(3-chloro-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 758746
2-(3-methylanilino)-N-[(3-phenoxyphenyl)methylideneamino]acetamide
CID 4537555
[2-methoxy-4-[[[2-(3-methylanilino)acetyl]hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 3649631
N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 4991681
N,N'-bis[(4-ethylphenyl)methylideneamino]butanediamide
CID 3314148
N-(benzylideneamino)-2-(4-methylanilino)acetamide
CID 689462
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 135644204
N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 4030750
N-[(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 3788023

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methylideneamino]-2-(3-methylanilino)acetamide?
The IUPAC name of N-[(4-ethylphenyl)methylideneamino]-2-(3-methylanilino)acetamide (CID 3765946) is N-[(4-ethylphenyl)methylideneamino]-2-(3-methylanilino)acetamide.
What is the SMILES notation for N-[(4-ethylphenyl)methylideneamino]-2-(3-methylanilino)acetamide?
The canonical SMILES for N-[(4-ethylphenyl)methylideneamino]-2-(3-methylanilino)acetamide is CCc1ccc(C=NNC(=O)CNc2cccc(C)c2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methylideneamino]-2-(3-methylanilino)acetamide?
The InChIKey is LBIRKZCAOPVGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-3-15-7-9-16(10-8-15)12-20-21-18(22)13-19-17-6-4-5-14(2)11-17/h4-12,19H,3,13H2,1-2H3,(H,21,22).
What are the key properties of N-[(4-ethylphenyl)methylideneamino]-2-(3-methylanilino)acetamide?
N-[(4-ethylphenyl)methylideneamino]-2-(3-methylanilino)acetamide has a molecular weight of 295.39 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methylideneamino]-2-(3-methylanilino)acetamide is sourced from PubChem (CID 3765946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).