9-(2-methoxyethyl)-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide

C23H30F3N3O3 — CID 21302855

IUPAC9-(2-methoxyethyl)-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCOCCn1c2c(c3cc(C(=O)NCCCCCNC(=O)C(F)(F)F)ccc31)CCCC2
InChIInChI=1S/C23H30F3N3O3/c1-32-14-13-29-19-8-4-3-7-17(19)18-15-16(9-10-20(18)29)21(30)27-11-5-2-6-12-28-22(31)23(24,25)26/h9-10,15H,2-8,11-14H2,1H3,(H,27,30)(H,28,31)
InChIKeyMWGJFRQBTMKIPF-UHFFFAOYSA-N
MW453.51 g/mol
LogP3.75
Rot. Bonds10

About 9-(2-methoxyethyl)-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide

9-(2-methoxyethyl)-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide (PubChem CID 21302855) has the molecular formula C23H30F3N3O3 and a molecular weight of 453.51 g/mol. Its IUPAC name is 9-(2-methoxyethyl)-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide.

Molecular Properties

Compound Name9-(2-methoxyethyl)-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide
PubChem CID21302855
Molecular FormulaC23H30F3N3O3
Molecular Weight453.51 g/mol
Exact Mass453.22
IUPAC Name9-(2-methoxyethyl)-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCOCCn1c2c(c3cc(C(=O)NCCCCCNC(=O)C(F)(F)F)ccc31)CCCC2
InChIInChI=1S/C23H30F3N3O3/c1-32-14-13-29-19-8-4-3-7-17(19)18-15-16(9-10-20(18)29)21(30)27-11-5-2-6-12-28-22(31)23(24,25)26/h9-10,15H,2-8,11-14H2,1H3,(H,27,30)(H,28,31)
InChIKeyMWGJFRQBTMKIPF-UHFFFAOYSA-N
XLogP3.75
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-(2-methoxyethyl)-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]-5,6,7,8-tetrahydrocarbazole-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

9-[3-(dimethylsulfamoyl)propyl]-N-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 68954073
ethane;methyl 9-[3-(2-ethylimidazol-1-yl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 143849916
4-tert-butyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
CID 108934829
N-(3-methoxypropyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 32686719
1-ethyl-N-(3-methoxypropyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 35513573
4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537590
N-(3-methoxypropyl)-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20940312
9-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 84612310
N-[3-(2-hydroxyethoxy)propyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110023973
N-methyl-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine
CID 176964378
3-[2-(cyclohexen-1-yl)ethyl]-N-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 5075940
1,2,3-trimethyl-N-(2-pyrrolidin-1-ylethyl)indole-5-carboxamide
CID 20940028

Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxyethyl)-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The IUPAC name of 9-(2-methoxyethyl)-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide (CID 21302855) is 9-(2-methoxyethyl)-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide.
What is the SMILES notation for 9-(2-methoxyethyl)-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The canonical SMILES for 9-(2-methoxyethyl)-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide is COCCn1c2c(c3cc(C(=O)NCCCCCNC(=O)C(F)(F)F)ccc31)CCCC2.
What is the InChIKey of 9-(2-methoxyethyl)-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The InChIKey is MWGJFRQBTMKIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F3N3O3/c1-32-14-13-29-19-8-4-3-7-17(19)18-15-16(9-10-20(18)29)21(30)27-11-5-2-6-12-28-22(31)23(24,25)26/h9-10,15H,2-8,11-14H2,1H3,(H,27,30)(H,28,31).
What are the key properties of 9-(2-methoxyethyl)-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
9-(2-methoxyethyl)-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide has a molecular weight of 453.51 g/mol, XLogP of 3.75, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyethyl)-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide is sourced from PubChem (CID 21302855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).