9-[(4-ethoxyphenyl)methyl]-7-methylcarbazole-4-carboxamide

C23H22N2O2 — CID 174401373

IUPAC9-[(4-ethoxyphenyl)methyl]-7-methylcarbazole-4-carboxamide
SMILESCCOc1ccc(Cn2c3cc(C)ccc3c3c(C(N)=O)cccc32)cc1
InChIInChI=1S/C23H22N2O2/c1-3-27-17-10-8-16(9-11-17)14-25-20-6-4-5-19(23(24)26)22(20)18-12-7-15(2)13-21(18)25/h4-13H,3,14H2,1-2H3,(H2,24,26)
InChIKeyPHRKNLHJVDMSSR-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.65
Rot. Bonds5

About 9-[(4-ethoxyphenyl)methyl]-7-methylcarbazole-4-carboxamide

9-[(4-ethoxyphenyl)methyl]-7-methylcarbazole-4-carboxamide (PubChem CID 174401373) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 9-[(4-ethoxyphenyl)methyl]-7-methylcarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(4-ethoxyphenyl)methyl]-7-methylcarbazole-4-carboxamide
PubChem CID174401373
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name9-[(4-ethoxyphenyl)methyl]-7-methylcarbazole-4-carboxamide
SMILESCCOc1ccc(Cn2c3cc(C)ccc3c3c(C(N)=O)cccc32)cc1
InChIInChI=1S/C23H22N2O2/c1-3-27-17-10-8-16(9-11-17)14-25-20-6-4-5-19(23(24)26)22(20)18-12-7-15(2)13-21(18)25/h4-13H,3,14H2,1-2H3,(H2,24,26)
InChIKeyPHRKNLHJVDMSSR-UHFFFAOYSA-N
XLogP4.65
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[(4-ethoxyphenyl)methyl]-7-methylcarbazole-4-carboxamide?
The IUPAC name of 9-[(4-ethoxyphenyl)methyl]-7-methylcarbazole-4-carboxamide (CID 174401373) is 9-[(4-ethoxyphenyl)methyl]-7-methylcarbazole-4-carboxamide.
What is the SMILES notation for 9-[(4-ethoxyphenyl)methyl]-7-methylcarbazole-4-carboxamide?
The canonical SMILES for 9-[(4-ethoxyphenyl)methyl]-7-methylcarbazole-4-carboxamide is CCOc1ccc(Cn2c3cc(C)ccc3c3c(C(N)=O)cccc32)cc1.
What is the InChIKey of 9-[(4-ethoxyphenyl)methyl]-7-methylcarbazole-4-carboxamide?
The InChIKey is PHRKNLHJVDMSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-3-27-17-10-8-16(9-11-17)14-25-20-6-4-5-19(23(24)26)22(20)18-12-7-15(2)13-21(18)25/h4-13H,3,14H2,1-2H3,(H2,24,26).
What are the key properties of 9-[(4-ethoxyphenyl)methyl]-7-methylcarbazole-4-carboxamide?
9-[(4-ethoxyphenyl)methyl]-7-methylcarbazole-4-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-ethoxyphenyl)methyl]-7-methylcarbazole-4-carboxamide is sourced from PubChem (CID 174401373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).