N-benzyl-2-(7,9-dimethylcarbazol-2-yl)acetamide

C23H22N2O — CID 163300073

IUPACN-benzyl-2-(7,9-dimethylcarbazol-2-yl)acetamide
SMILESCc1ccc2c3ccc(CC(=O)NCc4ccccc4)cc3n(C)c2c1
InChIInChI=1S/C23H22N2O/c1-16-8-10-19-20-11-9-18(13-22(20)25(2)21(19)12-16)14-23(26)24-15-17-6-4-3-5-7-17/h3-13H,14-15H2,1-2H3,(H,24,26)
InChIKeyVKERNEYBMLGHBF-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.50
Rot. Bonds4

About N-benzyl-2-(7,9-dimethylcarbazol-2-yl)acetamide

N-benzyl-2-(7,9-dimethylcarbazol-2-yl)acetamide (PubChem CID 163300073) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is N-benzyl-2-(7,9-dimethylcarbazol-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(7,9-dimethylcarbazol-2-yl)acetamide
PubChem CID163300073
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC NameN-benzyl-2-(7,9-dimethylcarbazol-2-yl)acetamide
SMILESCc1ccc2c3ccc(CC(=O)NCc4ccccc4)cc3n(C)c2c1
InChIInChI=1S/C23H22N2O/c1-16-8-10-19-20-11-9-18(13-22(20)25(2)21(19)12-16)14-23(26)24-15-17-6-4-3-5-7-17/h3-13H,14-15H2,1-2H3,(H,24,26)
InChIKeyVKERNEYBMLGHBF-UHFFFAOYSA-N
XLogP4.50
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

5-[[[2-(9-methylcarbazol-3-yl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 90652793
2-(3-methylphenyl)-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]acetamide
CID 112992263
2-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 4523425
2-(1,2-dimethylbenzimidazol-5-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110773124
N-benzyl-2-[(2-hydroxy-5-methylphenyl)methylamino]acetamide
CID 63324909
2-(1,2-dimethylbenzimidazol-5-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 110773123
N-benzyl-2-(9-methylcarbazol-2-yl)oxypropanamide
CID 164575088
N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-(2-methylphenyl)acetamide
CID 110786905
2-(1,2-dimethylindol-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 110768837
N-benzyl-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768263
1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide
CID 110694470
2-(1,2,6-trimethylindol-3-yl)acetic acid
CID 82493301

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(7,9-dimethylcarbazol-2-yl)acetamide?
The IUPAC name of N-benzyl-2-(7,9-dimethylcarbazol-2-yl)acetamide (CID 163300073) is N-benzyl-2-(7,9-dimethylcarbazol-2-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(7,9-dimethylcarbazol-2-yl)acetamide?
The canonical SMILES for N-benzyl-2-(7,9-dimethylcarbazol-2-yl)acetamide is Cc1ccc2c3ccc(CC(=O)NCc4ccccc4)cc3n(C)c2c1.
What is the InChIKey of N-benzyl-2-(7,9-dimethylcarbazol-2-yl)acetamide?
The InChIKey is VKERNEYBMLGHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-16-8-10-19-20-11-9-18(13-22(20)25(2)21(19)12-16)14-23(26)24-15-17-6-4-3-5-7-17/h3-13H,14-15H2,1-2H3,(H,24,26).
What are the key properties of N-benzyl-2-(7,9-dimethylcarbazol-2-yl)acetamide?
N-benzyl-2-(7,9-dimethylcarbazol-2-yl)acetamide has a molecular weight of 342.44 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(7,9-dimethylcarbazol-2-yl)acetamide is sourced from PubChem (CID 163300073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).