N-benzyl-N-ethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide

C22H24N2O — CID 113203560

IUPACN-benzyl-N-ethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C22H24N2O/c1-2-24(15-16-8-4-3-5-9-16)22(25)17-12-13-21-19(14-17)18-10-6-7-11-20(18)23-21/h3-11,17,23H,2,12-15H2,1H3
InChIKeyMYKRFNCYMCFYFP-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.32
Rot. Bonds4

About N-benzyl-N-ethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide

N-benzyl-N-ethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (PubChem CID 113203560) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
PubChem CID113203560
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC NameN-benzyl-N-ethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C22H24N2O/c1-2-24(15-16-8-4-3-5-9-16)22(25)17-12-13-21-19(14-17)18-10-6-7-11-20(18)23-21/h3-11,17,23H,2,12-15H2,1H3
InChIKeyMYKRFNCYMCFYFP-UHFFFAOYSA-N
XLogP4.32
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
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,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 69179589
N,N-dipropyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203605
N-methoxy-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 169084126
N-benzyl-6-fluoro-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 91126905
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
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-(2-ethylphenyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203621
N-benzyl-N-(2-methoxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18292641
N-(diaminomethylidene)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 59626250
pyrrolidin-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone
CID 113203529

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (CID 113203560) is N-benzyl-N-ethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is CCN(Cc1ccccc1)C(=O)C1CCc2[nH]c3ccccc3c2C1.
What is the InChIKey of N-benzyl-N-ethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The InChIKey is MYKRFNCYMCFYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-2-24(15-16-8-4-3-5-9-16)22(25)17-12-13-21-19(14-17)18-10-6-7-11-20(18)23-21/h3-11,17,23H,2,12-15H2,1H3.
What are the key properties of N-benzyl-N-ethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
N-benzyl-N-ethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is sourced from PubChem (CID 113203560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).