4-amino-2,3-dimethyl-N-(2,3,4-trimethylphenyl)benzamide

C18H22N2O — CID 118603729

IUPAC4-amino-2,3-dimethyl-N-(2,3,4-trimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(N)c(C)c2C)c(C)c1C
InChIInChI=1S/C18H22N2O/c1-10-6-9-17(14(5)11(10)2)20-18(21)15-7-8-16(19)13(4)12(15)3/h6-9H,19H2,1-5H3,(H,20,21)
InChIKeySIBLILXZNUDBDI-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.06
Rot. Bonds2

About 4-amino-2,3-dimethyl-N-(2,3,4-trimethylphenyl)benzamide

4-amino-2,3-dimethyl-N-(2,3,4-trimethylphenyl)benzamide (PubChem CID 118603729) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-amino-2,3-dimethyl-N-(2,3,4-trimethylphenyl)benzamide.

Molecular Properties

Compound Name4-amino-2,3-dimethyl-N-(2,3,4-trimethylphenyl)benzamide
PubChem CID118603729
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-amino-2,3-dimethyl-N-(2,3,4-trimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(N)c(C)c2C)c(C)c1C
InChIInChI=1S/C18H22N2O/c1-10-6-9-17(14(5)11(10)2)20-18(21)15-7-8-16(19)13(4)12(15)3/h6-9H,19H2,1-5H3,(H,20,21)
InChIKeySIBLILXZNUDBDI-UHFFFAOYSA-N
XLogP4.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methanesulfonic acid;2,3,4-trimethylaniline
CID 173451670
N'-(2,3,4-trimethylphenyl)oxamide
CID 115191617
N-(3,4-dimethylphenyl)-2,3,4-trimethylbenzamide
CID 163590509
3-amino-N-(4-iodo-2-methylphenyl)-2-methylbenzamide
CID 78984651
3-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide
CID 16784018
2-amino-4-chloro-N-(3-methoxy-2,4-dimethylphenyl)benzamide
CID 63110657
2-amino-4-[(2,3-dimethylphenyl)carbamoyl]benzoic acid
CID 170549182
4-amino-N-(3-methoxyphenyl)-2,3-dimethylbenzamide
CID 68975139
N-(2-amino-5-chlorophenyl)-5-chloro-2-methylbenzamide
CID 82880207
N-[(4-amino-2,3-dimethylphenyl)carbamothioyl]benzamide
CID 174769046
N-(4-amino-2-chlorophenyl)-2,3-dimethylbenzamide
CID 16788699
N-(3-amino-2,6-dimethylphenyl)-2-hydroxybenzamide
CID 24708392

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,3-dimethyl-N-(2,3,4-trimethylphenyl)benzamide?
The IUPAC name of 4-amino-2,3-dimethyl-N-(2,3,4-trimethylphenyl)benzamide (CID 118603729) is 4-amino-2,3-dimethyl-N-(2,3,4-trimethylphenyl)benzamide.
What is the SMILES notation for 4-amino-2,3-dimethyl-N-(2,3,4-trimethylphenyl)benzamide?
The canonical SMILES for 4-amino-2,3-dimethyl-N-(2,3,4-trimethylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(N)c(C)c2C)c(C)c1C.
What is the InChIKey of 4-amino-2,3-dimethyl-N-(2,3,4-trimethylphenyl)benzamide?
The InChIKey is SIBLILXZNUDBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-10-6-9-17(14(5)11(10)2)20-18(21)15-7-8-16(19)13(4)12(15)3/h6-9H,19H2,1-5H3,(H,20,21).
What are the key properties of 4-amino-2,3-dimethyl-N-(2,3,4-trimethylphenyl)benzamide?
4-amino-2,3-dimethyl-N-(2,3,4-trimethylphenyl)benzamide has a molecular weight of 282.39 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,3-dimethyl-N-(2,3,4-trimethylphenyl)benzamide is sourced from PubChem (CID 118603729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).