11-methyl-N-(4-methylphenyl)-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide

C23H22N2O — CID 4197491

IUPAC11-methyl-N-(4-methylphenyl)-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide
SMILESCc1ccc(NC(=O)C2Cc3ccccc3N(C)c3ccccc32)cc1
InChIInChI=1S/C23H22N2O/c1-16-11-13-18(14-12-16)24-23(26)20-15-17-7-3-5-9-21(17)25(2)22-10-6-4-8-19(20)22/h3-14,20H,15H2,1-2H3,(H,24,26)
InChIKeyOBCXKHUVDBAFEJ-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.04
Rot. Bonds2

About 11-methyl-N-(4-methylphenyl)-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide

11-methyl-N-(4-methylphenyl)-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide (PubChem CID 4197491) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 11-methyl-N-(4-methylphenyl)-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide.

Molecular Properties

Compound Name11-methyl-N-(4-methylphenyl)-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide
PubChem CID4197491
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name11-methyl-N-(4-methylphenyl)-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide
SMILESCc1ccc(NC(=O)C2Cc3ccccc3N(C)c3ccccc32)cc1
InChIInChI=1S/C23H22N2O/c1-16-11-13-18(14-12-16)24-23(26)20-15-17-7-3-5-9-21(17)25(2)22-10-6-4-8-19(20)22/h3-14,20H,15H2,1-2H3,(H,24,26)
InChIKeyOBCXKHUVDBAFEJ-UHFFFAOYSA-N
XLogP5.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-N-(4-chlorophenyl)-11-methyl-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide
CID 40527090
(5S)-11-methyl-N-(3-nitrophenyl)-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide
CID 40527082
N-(4-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66396911
N-(3-chloro-4-methylphenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 110703047
N-(3-acetamidophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 110703069
2-methyl-N-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 58142666
1-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 110703022
N-[4-(1-aminoethyl)phenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66395901
1-(1-methyl-2-oxo-3H-indol-3-yl)-3-(4-methylphenyl)urea
CID 140967408
N-(4-chlorophenyl)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 143284729
2-methyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 24697418
N-(2-carbamoylphenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 110703065

Frequently Asked Questions

What is the IUPAC name of 11-methyl-N-(4-methylphenyl)-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide?
The IUPAC name of 11-methyl-N-(4-methylphenyl)-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide (CID 4197491) is 11-methyl-N-(4-methylphenyl)-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide.
What is the SMILES notation for 11-methyl-N-(4-methylphenyl)-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide?
The canonical SMILES for 11-methyl-N-(4-methylphenyl)-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide is Cc1ccc(NC(=O)C2Cc3ccccc3N(C)c3ccccc32)cc1.
What is the InChIKey of 11-methyl-N-(4-methylphenyl)-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide?
The InChIKey is OBCXKHUVDBAFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-16-11-13-18(14-12-16)24-23(26)20-15-17-7-3-5-9-21(17)25(2)22-10-6-4-8-19(20)22/h3-14,20H,15H2,1-2H3,(H,24,26).
What are the key properties of 11-methyl-N-(4-methylphenyl)-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide?
11-methyl-N-(4-methylphenyl)-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-N-(4-methylphenyl)-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide is sourced from PubChem (CID 4197491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).