7-butyl-9-[(2-ethoxyphenyl)methyl]carbazole-4-carboxamide

C26H28N2O2 — CID 174400416

IUPAC7-butyl-9-[(2-ethoxyphenyl)methyl]carbazole-4-carboxamide
SMILESCCCCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccccc3OCC)c2c1
InChIInChI=1S/C26H28N2O2/c1-3-5-9-18-14-15-20-23(16-18)28(17-19-10-6-7-13-24(19)30-4-2)22-12-8-11-21(25(20)22)26(27)29/h6-8,10-16H,3-5,9,17H2,1-2H3,(H2,27,29)
InChIKeySTGQJVALUMNKMU-UHFFFAOYSA-N
MW400.52 g/mol
LogP5.68
Rot. Bonds8

About 7-butyl-9-[(2-ethoxyphenyl)methyl]carbazole-4-carboxamide

7-butyl-9-[(2-ethoxyphenyl)methyl]carbazole-4-carboxamide (PubChem CID 174400416) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 7-butyl-9-[(2-ethoxyphenyl)methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name7-butyl-9-[(2-ethoxyphenyl)methyl]carbazole-4-carboxamide
PubChem CID174400416
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name7-butyl-9-[(2-ethoxyphenyl)methyl]carbazole-4-carboxamide
SMILESCCCCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccccc3OCC)c2c1
InChIInChI=1S/C26H28N2O2/c1-3-5-9-18-14-15-20-23(16-18)28(17-19-10-6-7-13-24(19)30-4-2)22-12-8-11-21(25(20)22)26(27)29/h6-8,10-16H,3-5,9,17H2,1-2H3,(H2,27,29)
InChIKeySTGQJVALUMNKMU-UHFFFAOYSA-N
XLogP5.68
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-butyl-9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide
CID 174400032
9-[(4-benzoylphenyl)methyl]-7-butylcarbazole-4-carboxamide
CID 175235689
9-[(2-ethoxyphenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174418430
9-[(2,4-dimethylphenyl)methyl]-7-pentylcarbazole-4-carboxamide
CID 174414828
7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide
CID 174417581
9-[(2-cyanophenyl)methyl]-7-propylcarbazole-4-carboxamide
CID 175235910
7-(2,4-dichlorophenyl)-9-[(2-ethoxyphenyl)methyl]carbazole-4-carboxamide
CID 174399730
9-[(2-methylsulfonylphenyl)methyl]-7-propylcarbazole-4-carboxamide
CID 174417821
7-butyl-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
CID 174400322
9-[(4-cyanophenyl)methyl]-7-pentylcarbazole-4-carboxamide
CID 174417636
9-[(4-methylsulfonylphenyl)methyl]-7-pentylcarbazole-4-carboxamide
CID 174417959
9-[(2,5-dimethylphenyl)methyl]-7-propylcarbazole-4-carboxamide
CID 174440690

Frequently Asked Questions

What is the IUPAC name of 7-butyl-9-[(2-ethoxyphenyl)methyl]carbazole-4-carboxamide?
The IUPAC name of 7-butyl-9-[(2-ethoxyphenyl)methyl]carbazole-4-carboxamide (CID 174400416) is 7-butyl-9-[(2-ethoxyphenyl)methyl]carbazole-4-carboxamide.
What is the SMILES notation for 7-butyl-9-[(2-ethoxyphenyl)methyl]carbazole-4-carboxamide?
The canonical SMILES for 7-butyl-9-[(2-ethoxyphenyl)methyl]carbazole-4-carboxamide is CCCCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccccc3OCC)c2c1.
What is the InChIKey of 7-butyl-9-[(2-ethoxyphenyl)methyl]carbazole-4-carboxamide?
The InChIKey is STGQJVALUMNKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-3-5-9-18-14-15-20-23(16-18)28(17-19-10-6-7-13-24(19)30-4-2)22-12-8-11-21(25(20)22)26(27)29/h6-8,10-16H,3-5,9,17H2,1-2H3,(H2,27,29).
What are the key properties of 7-butyl-9-[(2-ethoxyphenyl)methyl]carbazole-4-carboxamide?
7-butyl-9-[(2-ethoxyphenyl)methyl]carbazole-4-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 5.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-9-[(2-ethoxyphenyl)methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174400416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).