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

C17H22N2O — CID 69179589

IUPACN,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESCCN(CC)C(=O)C1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C17H22N2O/c1-3-19(4-2)17(20)12-9-10-16-14(11-12)13-7-5-6-8-15(13)18-16/h5-8,12,18H,3-4,9-11H2,1-2H3
InChIKeyQXYMKQYFHMVKEC-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.14
Rot. Bonds3

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

N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (PubChem CID 69179589) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
PubChem CID69179589
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESCCN(CC)C(=O)C1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C17H22N2O/c1-3-19(4-2)17(20)12-9-10-16-14(11-12)13-7-5-6-8-15(13)18-16/h5-8,12,18H,3-4,9-11H2,1-2H3
InChIKeyQXYMKQYFHMVKEC-UHFFFAOYSA-N
XLogP3.14
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.14
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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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The IUPAC name of N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (CID 69179589) is N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.
What is the SMILES notation for N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The canonical SMILES for N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is CCN(CC)C(=O)C1CCc2[nH]c3ccccc3c2C1.
What is the InChIKey of N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The InChIKey is QXYMKQYFHMVKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-19(4-2)17(20)12-9-10-16-14(11-12)13-7-5-6-8-15(13)18-16/h5-8,12,18H,3-4,9-11H2,1-2H3.
What are the key properties of N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is sourced from PubChem (CID 69179589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).