5-[2-(dimethylamino)ethoxy]-N-[3-[4-(methoxycarbamoyl)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide

C24H26N4O4 — CID 89380202

IUPAC5-[2-(dimethylamino)ethoxy]-N-[3-[4-(methoxycarbamoyl)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide
SMILESCONC(=O)c1ccc(C#CCNC(=O)c2cc3cc(OCCN(C)C)ccc3[nH]2)cc1
InChIInChI=1S/C24H26N4O4/c1-28(2)13-14-32-20-10-11-21-19(15-20)16-22(26-21)24(30)25-12-4-5-17-6-8-18(9-7-17)23(29)27-31-3/h6-11,15-16,26H,12-14H2,1-3H3,(H,25,30)(H,27,29)
InChIKeyXUPBMCPHTQVZJP-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.18
Rot. Bonds8

About 5-[2-(dimethylamino)ethoxy]-N-[3-[4-(methoxycarbamoyl)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide

5-[2-(dimethylamino)ethoxy]-N-[3-[4-(methoxycarbamoyl)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide (PubChem CID 89380202) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethoxy]-N-[3-[4-(methoxycarbamoyl)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethoxy]-N-[3-[4-(methoxycarbamoyl)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide
PubChem CID89380202
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name5-[2-(dimethylamino)ethoxy]-N-[3-[4-(methoxycarbamoyl)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide
SMILESCONC(=O)c1ccc(C#CCNC(=O)c2cc3cc(OCCN(C)C)ccc3[nH]2)cc1
InChIInChI=1S/C24H26N4O4/c1-28(2)13-14-32-20-10-11-21-19(15-20)16-22(26-21)24(30)25-12-4-5-17-6-8-18(9-7-17)23(29)27-31-3/h6-11,15-16,26H,12-14H2,1-3H3,(H,25,30)(H,27,29)
InChIKeyXUPBMCPHTQVZJP-UHFFFAOYSA-N
XLogP2.18
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-[2-(dimethylamino)ethoxy]-N-[3-[4-(methoxycarbamoyl)phenyl]prop-2-ynyl]-1H-indole-2-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

4-[2-(dimethylamino)ethoxy]-N-[3-[4-(hydroxycarbamothioyl)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide
CID 87640899
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide
CID 90551749
methyl 4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-ynoate
CID 170470382
4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-ynamide
CID 170473957
4-[2-(dimethylamino)ethoxy]-N-ethylbenzamide
CID 110465146
5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide
CID 58408911
N-(3-phenylprop-2-ynyl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 87034067
5-fluoro-N-[4-(2-methoxyethoxy)phenyl]-1H-indole-2-carboxamide
CID 46433700
N-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopropyl]-5-methoxy-1H-indole-2-carboxamide
CID 11610782
2-[[5-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-indole-2-carbonyl]amino]ethylcarbamic acid
CID 135122252
2-[2-[(4-aminobenzoyl)amino]ethoxy]ethyl N-[2-[2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-methylamino]ethyl]carbamate
CID 129076593
4,5-dibromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrole-2-carboxamide
CID 122207547

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethoxy]-N-[3-[4-(methoxycarbamoyl)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-[2-(dimethylamino)ethoxy]-N-[3-[4-(methoxycarbamoyl)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide (CID 89380202) is 5-[2-(dimethylamino)ethoxy]-N-[3-[4-(methoxycarbamoyl)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-[2-(dimethylamino)ethoxy]-N-[3-[4-(methoxycarbamoyl)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-[2-(dimethylamino)ethoxy]-N-[3-[4-(methoxycarbamoyl)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide is CONC(=O)c1ccc(C#CCNC(=O)c2cc3cc(OCCN(C)C)ccc3[nH]2)cc1.
What is the InChIKey of 5-[2-(dimethylamino)ethoxy]-N-[3-[4-(methoxycarbamoyl)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide?
The InChIKey is XUPBMCPHTQVZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-28(2)13-14-32-20-10-11-21-19(15-20)16-22(26-21)24(30)25-12-4-5-17-6-8-18(9-7-17)23(29)27-31-3/h6-11,15-16,26H,12-14H2,1-3H3,(H,25,30)(H,27,29).
What are the key properties of 5-[2-(dimethylamino)ethoxy]-N-[3-[4-(methoxycarbamoyl)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide?
5-[2-(dimethylamino)ethoxy]-N-[3-[4-(methoxycarbamoyl)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 2.18, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethoxy]-N-[3-[4-(methoxycarbamoyl)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 89380202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).