9-[(3,5-dimethylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide

C25H26N2O — CID 174401035

IUPAC9-[(3,5-dimethylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide
SMILESCc1cc(C)cc(Cn2c3cc(C(C)C)ccc3c3c(C(N)=O)cccc32)c1
InChIInChI=1S/C25H26N2O/c1-15(2)19-8-9-20-23(13-19)27(14-18-11-16(3)10-17(4)12-18)22-7-5-6-21(24(20)22)25(26)28/h5-13,15H,14H2,1-4H3,(H2,26,28)
InChIKeyHDOGQVNRYJQKHR-UHFFFAOYSA-N
MW370.50 g/mol
LogP5.68
Rot. Bonds4

About 9-[(3,5-dimethylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide

9-[(3,5-dimethylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide (PubChem CID 174401035) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 9-[(3,5-dimethylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(3,5-dimethylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide
PubChem CID174401035
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name9-[(3,5-dimethylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide
SMILESCc1cc(C)cc(Cn2c3cc(C(C)C)ccc3c3c(C(N)=O)cccc32)c1
InChIInChI=1S/C25H26N2O/c1-15(2)19-8-9-20-23(13-19)27(14-18-11-16(3)10-17(4)12-18)22-7-5-6-21(24(20)22)25(26)28/h5-13,15H,14H2,1-4H3,(H2,26,28)
InChIKeyHDOGQVNRYJQKHR-UHFFFAOYSA-N
XLogP5.68
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-[(4-methylsulfonylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide
CID 174414327
9-[(2-benzylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide
CID 174401296
9-[(3-chloro-4-methoxyphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide
CID 174417997
9-[(3,5-dimethylphenyl)methyl]-5-hydroxycarbazole-4-carboxamide
CID 22739095
9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174424042
9-[(3-acetamidophenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174414730
7-methyl-9-[(3-methylsulfonylphenyl)methyl]carbazole-4-carboxamide
CID 174401308
9-[(3,5-dichlorophenyl)methyl]-7-ethylcarbazole-4-carboxamide
CID 174400697
7-ethyl-9-(pyridin-4-ylmethyl)carbazole-4-carboxamide
CID 174414362
9-[(4-ethoxyphenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174401373
7-fluoro-9-[(6-methylnaphthalen-2-yl)methyl]carbazole-4-carboxamide
CID 174444285
7-(4-methoxyphenyl)-9-[(4-methylphenyl)methyl]carbazole-4-carboxamide
CID 174401048

Frequently Asked Questions

What is the IUPAC name of 9-[(3,5-dimethylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide?
The IUPAC name of 9-[(3,5-dimethylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide (CID 174401035) is 9-[(3,5-dimethylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide.
What is the SMILES notation for 9-[(3,5-dimethylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide?
The canonical SMILES for 9-[(3,5-dimethylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide is Cc1cc(C)cc(Cn2c3cc(C(C)C)ccc3c3c(C(N)=O)cccc32)c1.
What is the InChIKey of 9-[(3,5-dimethylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide?
The InChIKey is HDOGQVNRYJQKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-15(2)19-8-9-20-23(13-19)27(14-18-11-16(3)10-17(4)12-18)22-7-5-6-21(24(20)22)25(26)28/h5-13,15H,14H2,1-4H3,(H2,26,28).
What are the key properties of 9-[(3,5-dimethylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide?
9-[(3,5-dimethylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3,5-dimethylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide is sourced from PubChem (CID 174401035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).