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

C17H22N2O — CID 113203527

IUPACN-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESCC(C)CNC(=O)C1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C17H22N2O/c1-11(2)10-18-17(20)12-7-8-16-14(9-12)13-5-3-4-6-15(13)19-16/h3-6,11-12,19H,7-10H2,1-2H3,(H,18,20)
InChIKeyOVTYZWPGPSMWSY-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.05
Rot. Bonds3

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

N-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (PubChem CID 113203527) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
PubChem CID113203527
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESCC(C)CNC(=O)C1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C17H22N2O/c1-11(2)10-18-17(20)12-7-8-16-14(9-12)13-5-3-4-6-15(13)19-16/h3-6,11-12,19H,7-10H2,1-2H3,(H,18,20)
InChIKeyOVTYZWPGPSMWSY-UHFFFAOYSA-N
XLogP3.05
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.05
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-(2,2-dimethoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 23249177
N-prop-2-enyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203525
(3R)-N'-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carbohydrazide
CID 162349920
N-phenyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203609
N-(2-ethylphenyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203621
N-[7-(hydroxyamino)-7-oxoheptyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 156776164
N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 69179589
3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide
CID 113096517
2-(azetidin-3-yl)-3-oxo-3-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
CID 87644132
N,N-dipropyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203605
N-(3-chloro-2-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203629
N-(diaminomethylidene)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 59626250

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (CID 113203527) is N-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is CC(C)CNC(=O)C1CCc2[nH]c3ccccc3c2C1.
What is the InChIKey of N-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The InChIKey is OVTYZWPGPSMWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11(2)10-18-17(20)12-7-8-16-14(9-12)13-5-3-4-6-15(13)19-16/h3-6,11-12,19H,7-10H2,1-2H3,(H,18,20).
What are the key properties of N-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
N-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is sourced from PubChem (CID 113203527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).