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

C23H22N2O3 — CID 174417543

IUPAC9-[(4-ethoxyphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
SMILESCCOc1ccc(Cn2c3cc(CO)ccc3c3c(C(N)=O)cccc32)cc1
InChIInChI=1S/C23H22N2O3/c1-2-28-17-9-6-15(7-10-17)13-25-20-5-3-4-19(23(24)27)22(20)18-11-8-16(14-26)12-21(18)25/h3-12,26H,2,13-14H2,1H3,(H2,24,27)
InChIKeyOJCGYMVUQUPZDD-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.83
Rot. Bonds6

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

9-[(4-ethoxyphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide (PubChem CID 174417543) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 9-[(4-ethoxyphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(4-ethoxyphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
PubChem CID174417543
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name9-[(4-ethoxyphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
SMILESCCOc1ccc(Cn2c3cc(CO)ccc3c3c(C(N)=O)cccc32)cc1
InChIInChI=1S/C23H22N2O3/c1-2-28-17-9-6-15(7-10-17)13-25-20-5-3-4-19(23(24)27)22(20)18-11-8-16(14-26)12-21(18)25/h3-12,26H,2,13-14H2,1H3,(H2,24,27)
InChIKeyOJCGYMVUQUPZDD-UHFFFAOYSA-N
XLogP3.83
TPSA77.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-[(4-ethoxyphenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174401373
9-[(3-chloro-4-methylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 175235943
9-[(4-benzoylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 174417858
7-(hydroxymethyl)-9-[(3-iodophenyl)methyl]carbazole-4-carboxamide
CID 174417942
9-[[4-(difluoromethoxy)phenyl]methyl]-7-propylcarbazole-4-carboxamide
CID 175233543
7-(2,6-dichlorophenyl)-9-[(3-ethoxyphenyl)methyl]carbazole-4-carboxamide
CID 174417522
7-ethyl-9-(pyridin-4-ylmethyl)carbazole-4-carboxamide
CID 174414362
9-[(3,5-dichlorophenyl)methyl]-7-ethylcarbazole-4-carboxamide
CID 174400697
7-(hydroxymethyl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide
CID 174400343
7-(4-methoxyphenyl)-9-[(4-methylphenyl)methyl]carbazole-4-carboxamide
CID 174401048
9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide
CID 174418283
9-[(2-benzylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 174417531

Frequently Asked Questions

What is the IUPAC name of 9-[(4-ethoxyphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide?
The IUPAC name of 9-[(4-ethoxyphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide (CID 174417543) is 9-[(4-ethoxyphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide.
What is the SMILES notation for 9-[(4-ethoxyphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide?
The canonical SMILES for 9-[(4-ethoxyphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide is CCOc1ccc(Cn2c3cc(CO)ccc3c3c(C(N)=O)cccc32)cc1.
What is the InChIKey of 9-[(4-ethoxyphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide?
The InChIKey is OJCGYMVUQUPZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-2-28-17-9-6-15(7-10-17)13-25-20-5-3-4-19(23(24)27)22(20)18-11-8-16(14-26)12-21(18)25/h3-12,26H,2,13-14H2,1H3,(H2,24,27).
What are the key properties of 9-[(4-ethoxyphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide?
9-[(4-ethoxyphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-ethoxyphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide is sourced from PubChem (CID 174417543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).