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

C17H22N2O3 — CID 23249177

IUPACN-(2,2-dimethoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESCOC(CNC(=O)C1CCc2[nH]c3ccccc3c2C1)OC
InChIInChI=1S/C17H22N2O3/c1-21-16(22-2)10-18-17(20)11-7-8-15-13(9-11)12-5-3-4-6-14(12)19-15/h3-6,11,16,19H,7-10H2,1-2H3,(H,18,20)
InChIKeyFOEATQSSCRPIBP-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.01
Rot. Bonds5

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

N-(2,2-dimethoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (PubChem CID 23249177) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
PubChem CID23249177
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-(2,2-dimethoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESCOC(CNC(=O)C1CCc2[nH]c3ccccc3c2C1)OC
InChIInChI=1S/C17H22N2O3/c1-21-16(22-2)10-18-17(20)11-7-8-15-13(9-11)12-5-3-4-6-14(12)19-15/h3-6,11,16,19H,7-10H2,1-2H3,(H,18,20)
InChIKeyFOEATQSSCRPIBP-UHFFFAOYSA-N
XLogP2.01
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,2-dimethoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-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

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
(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-methoxy-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 169084126
N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 69179589
(3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole
CID 124507658
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

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (CID 23249177) is N-(2,2-dimethoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is COC(CNC(=O)C1CCc2[nH]c3ccccc3c2C1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The InChIKey is FOEATQSSCRPIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-21-16(22-2)10-18-17(20)11-7-8-15-13(9-11)12-5-3-4-6-14(12)19-15/h3-6,11,16,19H,7-10H2,1-2H3,(H,18,20).
What are the key properties of N-(2,2-dimethoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
N-(2,2-dimethoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is sourced from PubChem (CID 23249177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).