4-(2,3-dimethylanilino)-N,N,8-trimethylnaphthalene-1-carboxamide

C22H24N2O — CID 71186183

IUPAC4-(2,3-dimethylanilino)-N,N,8-trimethylnaphthalene-1-carboxamide
SMILESCc1cccc(Nc2ccc(C(=O)N(C)C)c3c(C)cccc23)c1C
InChIInChI=1S/C22H24N2O/c1-14-8-7-11-19(16(14)3)23-20-13-12-18(22(25)24(4)5)21-15(2)9-6-10-17(20)21/h6-13,23H,1-5H3
InChIKeyBTJYAWKZQGQZST-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.21
Rot. Bonds3

About 4-(2,3-dimethylanilino)-N,N,8-trimethylnaphthalene-1-carboxamide

4-(2,3-dimethylanilino)-N,N,8-trimethylnaphthalene-1-carboxamide (PubChem CID 71186183) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-(2,3-dimethylanilino)-N,N,8-trimethylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name4-(2,3-dimethylanilino)-N,N,8-trimethylnaphthalene-1-carboxamide
PubChem CID71186183
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name4-(2,3-dimethylanilino)-N,N,8-trimethylnaphthalene-1-carboxamide
SMILESCc1cccc(Nc2ccc(C(=O)N(C)C)c3c(C)cccc23)c1C
InChIInChI=1S/C22H24N2O/c1-14-8-7-11-19(16(14)3)23-20-13-12-18(22(25)24(4)5)21-15(2)9-6-10-17(20)21/h6-13,23H,1-5H3
InChIKeyBTJYAWKZQGQZST-UHFFFAOYSA-N
XLogP5.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-fluoro-2-(trifluoromethyl)anilino]-N,N,8-trimethylnaphthalene-1-carboxamide
CID 71204125
4-(2,3-difluoroanilino)-N,N-diethyl-8-methylnaphthalene-1-carboxamide
CID 71203866
N,N,2-trimethyl-5-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide
CID 71203996
N,N-dimethyl-2-(2-methylanilino)benzamide
CID 11402568
2-methyl-3-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide
CID 71186269
methyl 2-methyl-3-[[5-methyl-4-(morpholine-4-carbonyl)naphthalen-1-yl]amino]benzoate
CID 71186080
copper 2-(2,3-dimethylanilino)benzoate
CID 135564277
1-(3,5-difluoroanilino)-N,N,5-trimethylisoquinoline-4-carboxamide
CID 71186251
[8-methyl-4-[2-methyl-3-(1-methyltetrazol-5-yl)anilino]naphthalen-1-yl]-piperidin-1-ylmethanone
CID 71185988
CID 10739949
CID 10739949
4-(2,3-dimethylanilino)thiophene-3-carboxylic acid
CID 151566015
deuterio 2-(2,3-dimethylanilino)benzoate
CID 175757896

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylanilino)-N,N,8-trimethylnaphthalene-1-carboxamide?
The IUPAC name of 4-(2,3-dimethylanilino)-N,N,8-trimethylnaphthalene-1-carboxamide (CID 71186183) is 4-(2,3-dimethylanilino)-N,N,8-trimethylnaphthalene-1-carboxamide.
What is the SMILES notation for 4-(2,3-dimethylanilino)-N,N,8-trimethylnaphthalene-1-carboxamide?
The canonical SMILES for 4-(2,3-dimethylanilino)-N,N,8-trimethylnaphthalene-1-carboxamide is Cc1cccc(Nc2ccc(C(=O)N(C)C)c3c(C)cccc23)c1C.
What is the InChIKey of 4-(2,3-dimethylanilino)-N,N,8-trimethylnaphthalene-1-carboxamide?
The InChIKey is BTJYAWKZQGQZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-14-8-7-11-19(16(14)3)23-20-13-12-18(22(25)24(4)5)21-15(2)9-6-10-17(20)21/h6-13,23H,1-5H3.
What are the key properties of 4-(2,3-dimethylanilino)-N,N,8-trimethylnaphthalene-1-carboxamide?
4-(2,3-dimethylanilino)-N,N,8-trimethylnaphthalene-1-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylanilino)-N,N,8-trimethylnaphthalene-1-carboxamide is sourced from PubChem (CID 71186183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).