5-amino-N,2,4-trimethyl-N-(4-methylphenyl)benzamide

C17H20N2O — CID 102705474

IUPAC5-amino-N,2,4-trimethyl-N-(4-methylphenyl)benzamide
SMILESCc1ccc(N(C)C(=O)c2cc(N)c(C)cc2C)cc1
InChIInChI=1S/C17H20N2O/c1-11-5-7-14(8-6-11)19(4)17(20)15-10-16(18)13(3)9-12(15)2/h5-10H,18H2,1-4H3
InChIKeyMCYODLGGXIEWQC-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.47
Rot. Bonds2

About 5-amino-N,2,4-trimethyl-N-(4-methylphenyl)benzamide

5-amino-N,2,4-trimethyl-N-(4-methylphenyl)benzamide (PubChem CID 102705474) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-amino-N,2,4-trimethyl-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name5-amino-N,2,4-trimethyl-N-(4-methylphenyl)benzamide
PubChem CID102705474
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name5-amino-N,2,4-trimethyl-N-(4-methylphenyl)benzamide
SMILESCc1ccc(N(C)C(=O)c2cc(N)c(C)cc2C)cc1
InChIInChI=1S/C17H20N2O/c1-11-5-7-14(8-6-11)19(4)17(20)15-10-16(18)13(3)9-12(15)2/h5-10H,18H2,1-4H3
InChIKeyMCYODLGGXIEWQC-UHFFFAOYSA-N
XLogP3.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N,6-dimethyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 81242475
N,2-dimethyl-N-(4-methylphenyl)benzamide
CID 58207098
4-bromo-N,3-dimethyl-N-(4-methylphenyl)benzamide
CID 112705888
3-amino-N-methyl-N-(4-methylphenyl)pyridine-4-carboxamide
CID 105069166
3-amino-N,4-dimethyl-N-phenylbenzamide
CID 16771335
2-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide
CID 79787103
3-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide
CID 52851115
N-(4-carbamothioylphenyl)-2-hydroxy-N,4-dimethylbenzamide
CID 62969444
N-(4-cyanophenyl)-N,2,4-trimethylbenzamide
CID 62982931
4-bromo-2-methoxy-N-methyl-N-(4-methylphenyl)benzamide
CID 78991962
N,6-dimethyl-N-(4-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103716728
3-hydroxy-N-methyl-N-(4-methylphenyl)naphthalene-2-carboxamide
CID 22590781

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,2,4-trimethyl-N-(4-methylphenyl)benzamide?
The IUPAC name of 5-amino-N,2,4-trimethyl-N-(4-methylphenyl)benzamide (CID 102705474) is 5-amino-N,2,4-trimethyl-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 5-amino-N,2,4-trimethyl-N-(4-methylphenyl)benzamide?
The canonical SMILES for 5-amino-N,2,4-trimethyl-N-(4-methylphenyl)benzamide is Cc1ccc(N(C)C(=O)c2cc(N)c(C)cc2C)cc1.
What is the InChIKey of 5-amino-N,2,4-trimethyl-N-(4-methylphenyl)benzamide?
The InChIKey is MCYODLGGXIEWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-11-5-7-14(8-6-11)19(4)17(20)15-10-16(18)13(3)9-12(15)2/h5-10H,18H2,1-4H3.
What are the key properties of 5-amino-N,2,4-trimethyl-N-(4-methylphenyl)benzamide?
5-amino-N,2,4-trimethyl-N-(4-methylphenyl)benzamide has a molecular weight of 268.36 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,2,4-trimethyl-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 102705474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).