1-[4-[(3,4-dimethylbenzoyl)amino]anilino]ethylidene-dimethylazanium

C19H24N3O+ — CID 21440580

IUPAC1-[4-[(3,4-dimethylbenzoyl)amino]anilino]ethylidene-dimethylazanium
SMILESCC(Nc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1)=[N+](C)C
InChIInChI=1S/C19H23N3O/c1-13-6-7-16(12-14(13)2)19(23)21-18-10-8-17(9-11-18)20-15(3)22(4)5/h6-12H,1-5H3,(H,21,23)/p+1
InChIKeyACIDSXORGGPWMQ-UHFFFAOYSA-O
MW310.42 g/mol
LogP3.66
Rot. Bonds3

About 1-[4-[(3,4-dimethylbenzoyl)amino]anilino]ethylidene-dimethylazanium

1-[4-[(3,4-dimethylbenzoyl)amino]anilino]ethylidene-dimethylazanium (PubChem CID 21440580) has the molecular formula C19H24N3O+ and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-[4-[(3,4-dimethylbenzoyl)amino]anilino]ethylidene-dimethylazanium.

Molecular Properties

Compound Name1-[4-[(3,4-dimethylbenzoyl)amino]anilino]ethylidene-dimethylazanium
PubChem CID21440580
Molecular FormulaC19H24N3O+
Molecular Weight310.42 g/mol
Exact Mass310.19
IUPAC Name1-[4-[(3,4-dimethylbenzoyl)amino]anilino]ethylidene-dimethylazanium
SMILESCC(Nc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1)=[N+](C)C
InChIInChI=1S/C19H23N3O/c1-13-6-7-16(12-14(13)2)19(23)21-18-10-8-17(9-11-18)20-15(3)22(4)5/h6-12H,1-5H3,(H,21,23)/p+1
InChIKeyACIDSXORGGPWMQ-UHFFFAOYSA-O
XLogP3.66
TPSA44.14 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,4-dimethylbenzamide
CID 43185491
N-[4-(hydroxymethyl)phenyl]-3,4-dimethylbenzamide
CID 64793175
3,4-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 893199
1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049646
propan-2-yl 4-[(3,4-dimethylbenzoyl)amino]benzoate
CID 708962
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
3,4-dimethyl-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980349
3,4-dimethyl-N-(4-phenyldiazenylphenyl)benzamide
CID 3466026
N-[4-(3-acetylanilino)phenyl]-3,4-dimethylbenzamide
CID 112988131
N-[4-(butan-2-ylamino)phenyl]-3,4-dimethylbenzamide
CID 112980469
N-(4-acetamidophenyl)-3-iodo-4-methylbenzamide
CID 1014195

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,4-dimethylbenzoyl)amino]anilino]ethylidene-dimethylazanium?
The IUPAC name of 1-[4-[(3,4-dimethylbenzoyl)amino]anilino]ethylidene-dimethylazanium (CID 21440580) is 1-[4-[(3,4-dimethylbenzoyl)amino]anilino]ethylidene-dimethylazanium.
What is the SMILES notation for 1-[4-[(3,4-dimethylbenzoyl)amino]anilino]ethylidene-dimethylazanium?
The canonical SMILES for 1-[4-[(3,4-dimethylbenzoyl)amino]anilino]ethylidene-dimethylazanium is CC(Nc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1)=[N+](C)C.
What is the InChIKey of 1-[4-[(3,4-dimethylbenzoyl)amino]anilino]ethylidene-dimethylazanium?
The InChIKey is ACIDSXORGGPWMQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23N3O/c1-13-6-7-16(12-14(13)2)19(23)21-18-10-8-17(9-11-18)20-15(3)22(4)5/h6-12H,1-5H3,(H,21,23)/p+1.
What are the key properties of 1-[4-[(3,4-dimethylbenzoyl)amino]anilino]ethylidene-dimethylazanium?
1-[4-[(3,4-dimethylbenzoyl)amino]anilino]ethylidene-dimethylazanium has a molecular weight of 310.42 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,4-dimethylbenzoyl)amino]anilino]ethylidene-dimethylazanium is sourced from PubChem (CID 21440580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).