7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

C16H20N2O2 — CID 154407267

IUPAC7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCC(C)(O)C1CCc2c([nH]c3c(C(N)=O)cccc23)C1
InChIInChI=1S/C16H20N2O2/c1-16(2,20)9-6-7-10-11-4-3-5-12(15(17)19)14(11)18-13(10)8-9/h3-5,9,18,20H,6-8H2,1-2H3,(H2,17,19)
InChIKeyVTGTXESAAHUKFU-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.14
Rot. Bonds2

About 7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 154407267) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

Compound Name7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID154407267
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCC(C)(O)C1CCc2c([nH]c3c(C(N)=O)cccc23)C1
InChIInChI=1S/C16H20N2O2/c1-16(2,20)9-6-7-10-11-4-3-5-12(15(17)19)14(11)18-13(10)8-9/h3-5,9,18,20H,6-8H2,1-2H3,(H2,17,19)
InChIKeyVTGTXESAAHUKFU-UHFFFAOYSA-N
XLogP2.14
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 59375022
7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 141366296
4-[3-[ethenylsulfanyl(methyl)amino]-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 146208468
4-[2-chloro-3-(prop-1-enylsulfonylamino)phenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 151268678
8,8-dimethyl-5,6,7,9-tetrahydrocarbazole-1,7-dicarboxamide
CID 130362581
3-fluoro-4-(3-formamido-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 129237159
4-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 130362598
(7S)-3-fluoro-4-[3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 86582336
[2-[[3-[(7S)-1-carbamoyl-3-fluoro-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazol-4-yl]-2-methylphenyl]carbamoyl]-6-fluorophenyl] N-methylcarbamate
CID 135155562
7-hexyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid
CID 175402071
6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide
CID 84613636
8-(oxan-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-1,7-dicarboxamide
CID 66607024

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The IUPAC name of 7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 154407267) is 7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.
What is the SMILES notation for 7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The canonical SMILES for 7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is CC(C)(O)C1CCc2c([nH]c3c(C(N)=O)cccc23)C1.
What is the InChIKey of 7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is VTGTXESAAHUKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-16(2,20)9-6-7-10-11-4-3-5-12(15(17)19)14(11)18-13(10)8-9/h3-5,9,18,20H,6-8H2,1-2H3,(H2,17,19).
What are the key properties of 7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.14, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 154407267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).