N-(3-amino-2,6-dimethylphenyl)-2,4,6-trimethylbenzamide

C18H22N2O — CID 24707284

IUPACN-(3-amino-2,6-dimethylphenyl)-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2c(C)ccc(N)c2C)c(C)c1
InChIInChI=1S/C18H22N2O/c1-10-8-12(3)16(13(4)9-10)18(21)20-17-11(2)6-7-15(19)14(17)5/h6-9H,19H2,1-5H3,(H,20,21)
InChIKeyCCFJHCFJTBQDPD-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.06
Rot. Bonds2

About N-(3-amino-2,6-dimethylphenyl)-2,4,6-trimethylbenzamide

N-(3-amino-2,6-dimethylphenyl)-2,4,6-trimethylbenzamide (PubChem CID 24707284) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(3-amino-2,6-dimethylphenyl)-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2,6-dimethylphenyl)-2,4,6-trimethylbenzamide
PubChem CID24707284
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(3-amino-2,6-dimethylphenyl)-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2c(C)ccc(N)c2C)c(C)c1
InChIInChI=1S/C18H22N2O/c1-10-8-12(3)16(13(4)9-10)18(21)20-17-11(2)6-7-15(19)14(17)5/h6-9H,19H2,1-5H3,(H,20,21)
InChIKeyCCFJHCFJTBQDPD-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

(3-amino-2,6-dimethylphenyl)urea
CID 19820899
N-(3-amino-2,6-dimethylphenyl)-2-methoxy-5-methylbenzamide
CID 62503695
N-(3-amino-2,6-dimethylphenyl)-2-hydroxybenzamide
CID 24708392
N-(3-amino-2,6-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 28776911
N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzamide
CID 24691936
methyl N-(3-amino-2,6-dimethylphenyl)carbamate
CID 19857501
N-(2-amino-5-fluorophenyl)-2,4,6-trimethylbenzamide
CID 63257510
N-(3-amino-2,6-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 24707080
N-(3-amino-2,6-dimethylphenyl)-2-methylpyridine-4-carboxamide
CID 106752359
N-(3-amino-2,6-dimethylphenyl)butanamide
CID 24711453
N-(4-amino-2,5-dimethylphenyl)-2,4,6-trimethylbenzamide
CID 103144421
N-(3-amino-2,6-dimethylphenyl)pyridazine-4-carboxamide
CID 104669075

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,6-dimethylphenyl)-2,4,6-trimethylbenzamide?
The IUPAC name of N-(3-amino-2,6-dimethylphenyl)-2,4,6-trimethylbenzamide (CID 24707284) is N-(3-amino-2,6-dimethylphenyl)-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-(3-amino-2,6-dimethylphenyl)-2,4,6-trimethylbenzamide?
The canonical SMILES for N-(3-amino-2,6-dimethylphenyl)-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)Nc2c(C)ccc(N)c2C)c(C)c1.
What is the InChIKey of N-(3-amino-2,6-dimethylphenyl)-2,4,6-trimethylbenzamide?
The InChIKey is CCFJHCFJTBQDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-10-8-12(3)16(13(4)9-10)18(21)20-17-11(2)6-7-15(19)14(17)5/h6-9H,19H2,1-5H3,(H,20,21).
What are the key properties of N-(3-amino-2,6-dimethylphenyl)-2,4,6-trimethylbenzamide?
N-(3-amino-2,6-dimethylphenyl)-2,4,6-trimethylbenzamide 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 N-(3-amino-2,6-dimethylphenyl)-2,4,6-trimethylbenzamide is sourced from PubChem (CID 24707284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).