9-[(2,4-dimethylphenyl)methyl]-7-pentylcarbazole-4-carboxamide

C27H30N2O — CID 174414828

IUPAC9-[(2,4-dimethylphenyl)methyl]-7-pentylcarbazole-4-carboxamide
SMILESCCCCCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccc(C)cc3C)c2c1
InChIInChI=1S/C27H30N2O/c1-4-5-6-8-20-12-14-22-25(16-20)29(17-21-13-11-18(2)15-19(21)3)24-10-7-9-23(26(22)24)27(28)30/h7,9-16H,4-6,8,17H2,1-3H3,(H2,28,30)
InChIKeyCVVZDZWURYSPOL-UHFFFAOYSA-N
MW398.55 g/mol
LogP6.29
Rot. Bonds7

About 9-[(2,4-dimethylphenyl)methyl]-7-pentylcarbazole-4-carboxamide

9-[(2,4-dimethylphenyl)methyl]-7-pentylcarbazole-4-carboxamide (PubChem CID 174414828) has the molecular formula C27H30N2O and a molecular weight of 398.55 g/mol. Its IUPAC name is 9-[(2,4-dimethylphenyl)methyl]-7-pentylcarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(2,4-dimethylphenyl)methyl]-7-pentylcarbazole-4-carboxamide
PubChem CID174414828
Molecular FormulaC27H30N2O
Molecular Weight398.55 g/mol
Exact Mass398.24
IUPAC Name9-[(2,4-dimethylphenyl)methyl]-7-pentylcarbazole-4-carboxamide
SMILESCCCCCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccc(C)cc3C)c2c1
InChIInChI=1S/C27H30N2O/c1-4-5-6-8-20-12-14-22-25(16-20)29(17-21-13-11-18(2)15-19(21)3)24-10-7-9-23(26(22)24)27(28)30/h7,9-16H,4-6,8,17H2,1-3H3,(H2,28,30)
InChIKeyCVVZDZWURYSPOL-UHFFFAOYSA-N
XLogP6.29
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-[(2,5-dimethylphenyl)methyl]-7-propylcarbazole-4-carboxamide
CID 174440690
7-butyl-9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide
CID 174400032
9-[(2,4-dimethylphenyl)methyl]carbazole-4-carboxamide
CID 174423911
9-[(4-cyanophenyl)methyl]-7-pentylcarbazole-4-carboxamide
CID 174417636
9-[(4-methylsulfonylphenyl)methyl]-7-pentylcarbazole-4-carboxamide
CID 174417959
9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-pentylcarbazole-4-carboxamide
CID 174401347
9-[(2,4-dimethylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 175235829
7-butyl-9-[(2-ethoxyphenyl)methyl]carbazole-4-carboxamide
CID 174400416
7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide
CID 174417581
9-[(4-benzoylphenyl)methyl]-7-butylcarbazole-4-carboxamide
CID 175235689
9-[(2,5-dimethylphenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
CID 174400974
9-[(2-fluoro-3-methylphenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174400303

Frequently Asked Questions

What is the IUPAC name of 9-[(2,4-dimethylphenyl)methyl]-7-pentylcarbazole-4-carboxamide?
The IUPAC name of 9-[(2,4-dimethylphenyl)methyl]-7-pentylcarbazole-4-carboxamide (CID 174414828) is 9-[(2,4-dimethylphenyl)methyl]-7-pentylcarbazole-4-carboxamide.
What is the SMILES notation for 9-[(2,4-dimethylphenyl)methyl]-7-pentylcarbazole-4-carboxamide?
The canonical SMILES for 9-[(2,4-dimethylphenyl)methyl]-7-pentylcarbazole-4-carboxamide is CCCCCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccc(C)cc3C)c2c1.
What is the InChIKey of 9-[(2,4-dimethylphenyl)methyl]-7-pentylcarbazole-4-carboxamide?
The InChIKey is CVVZDZWURYSPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O/c1-4-5-6-8-20-12-14-22-25(16-20)29(17-21-13-11-18(2)15-19(21)3)24-10-7-9-23(26(22)24)27(28)30/h7,9-16H,4-6,8,17H2,1-3H3,(H2,28,30).
What are the key properties of 9-[(2,4-dimethylphenyl)methyl]-7-pentylcarbazole-4-carboxamide?
9-[(2,4-dimethylphenyl)methyl]-7-pentylcarbazole-4-carboxamide has a molecular weight of 398.55 g/mol, XLogP of 6.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,4-dimethylphenyl)methyl]-7-pentylcarbazole-4-carboxamide is sourced from PubChem (CID 174414828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).