N-(2-ethylphenyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide

C21H22N2O — CID 113203621

IUPACN-(2-ethylphenyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C21H22N2O/c1-2-14-7-3-5-9-18(14)23-21(24)15-11-12-20-17(13-15)16-8-4-6-10-19(16)22-20/h3-10,15,22H,2,11-13H2,1H3,(H,23,24)
InChIKeyIHHINJLAYAMVBA-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.47
Rot. Bonds3

About N-(2-ethylphenyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide

N-(2-ethylphenyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (PubChem CID 113203621) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
PubChem CID113203621
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC NameN-(2-ethylphenyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C21H22N2O/c1-2-14-7-3-5-9-18(14)23-21(24)15-11-12-20-17(13-15)16-8-4-6-10-19(16)22-20/h3-10,15,22H,2,11-13H2,1H3,(H,23,24)
InChIKeyIHHINJLAYAMVBA-UHFFFAOYSA-N
XLogP4.47
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-2-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203629
N-phenyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203609
(3R)-N'-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carbohydrazide
CID 162349920
N-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203527
N-prop-2-enyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203525
N,N-dipropyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203605
6-fluoro-N-[2-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203795
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
N-[7-(hydroxyamino)-7-oxoheptyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 156776164
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
pyrrolidin-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone
CID 113203529
2-(azetidin-3-yl)-3-oxo-3-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
CID 87644132

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (CID 113203621) is N-(2-ethylphenyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is CCc1ccccc1NC(=O)C1CCc2[nH]c3ccccc3c2C1.
What is the InChIKey of N-(2-ethylphenyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The InChIKey is IHHINJLAYAMVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-2-14-7-3-5-9-18(14)23-21(24)15-11-12-20-17(13-15)16-8-4-6-10-19(16)22-20/h3-10,15,22H,2,11-13H2,1H3,(H,23,24).
What are the key properties of N-(2-ethylphenyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
N-(2-ethylphenyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is sourced from PubChem (CID 113203621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).