3-[2-(dimethylamino)ethoxy]-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide

C22H29N3O3 — CID 66952883

IUPAC3-[2-(dimethylamino)ethoxy]-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
SMILESCc1cc2c(n1-c1ccc(C(N)=O)cc1OCCN(C)C)CC(C)(C)CC2=O
InChIInChI=1S/C22H29N3O3/c1-14-10-16-18(12-22(2,3)13-19(16)26)25(14)17-7-6-15(21(23)27)11-20(17)28-9-8-24(4)5/h6-7,10-11H,8-9,12-13H2,1-5H3,(H2,23,27)
InChIKeySUHHVOXEQAQZTA-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.98
Rot. Bonds6

About 3-[2-(dimethylamino)ethoxy]-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide

3-[2-(dimethylamino)ethoxy]-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide (PubChem CID 66952883) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethoxy]-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethoxy]-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
PubChem CID66952883
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name3-[2-(dimethylamino)ethoxy]-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
SMILESCc1cc2c(n1-c1ccc(C(N)=O)cc1OCCN(C)C)CC(C)(C)CC2=O
InChIInChI=1S/C22H29N3O3/c1-14-10-16-18(12-22(2,3)13-19(16)26)25(14)17-7-6-15(21(23)27)11-20(17)28-9-8-24(4)5/h6-7,10-11H,8-9,12-13H2,1-5H3,(H2,23,27)
InChIKeySUHHVOXEQAQZTA-UHFFFAOYSA-N
XLogP2.98
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

2-(4-Methoxyanilino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
CID 11856023
8,11,11-Trimethyl-9-Oxo-6,7,9,10,11,12-Hexahydroindolo[2,1-D][1,5]benzoxazepine-3-Carboxamide
CID 90657117
3-methoxy-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide
CID 16065828
4-(3-Acetylindol-1-yl)-3-methoxybenzamide
CID 16066440
Ethyl 1-{[(2-ethoxyphenyl)carbamoyl]methyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
CID 3397649
3-Ethyl-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one
CID 10022745
N-[(3-Methoxyphenyl)methyl]-4-(2-methyl-4,5,6,7-tetrahydro-1H-indol-1-YL)benzamide
CID 16021099
4-(2,5-Dimethyl-4,5,6,7-tetrahydro-1H-indol-1-YL)-N-[(3-methoxyphenyl)methyl]benzamide
CID 16021133
4-(diethylamino)-3-methoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 90680575
4-Chloro-12,16,16-trimethyl-14-oxo-9-propyl-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide
CID 118729959
9,12,16,16-Tetramethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide
CID 118729960
4-Chloro-12,16,16-trimethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide
CID 118729961

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethoxy]-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The IUPAC name of 3-[2-(dimethylamino)ethoxy]-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide (CID 66952883) is 3-[2-(dimethylamino)ethoxy]-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethoxy]-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The canonical SMILES for 3-[2-(dimethylamino)ethoxy]-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide is Cc1cc2c(n1-c1ccc(C(N)=O)cc1OCCN(C)C)CC(C)(C)CC2=O.
What is the InChIKey of 3-[2-(dimethylamino)ethoxy]-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The InChIKey is SUHHVOXEQAQZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-14-10-16-18(12-22(2,3)13-19(16)26)25(14)17-7-6-15(21(23)27)11-20(17)28-9-8-24(4)5/h6-7,10-11H,8-9,12-13H2,1-5H3,(H2,23,27).
What are the key properties of 3-[2-(dimethylamino)ethoxy]-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
3-[2-(dimethylamino)ethoxy]-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide has a molecular weight of 383.49 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethoxy]-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide is sourced from PubChem (CID 66952883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).