2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide

C25H25N3O3 — CID 9105631

IUPAC2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2NCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C25H25N3O3/c1-2-31-20-13-11-19(12-14-20)27-25(30)21-8-4-5-9-22(21)26-17-24(29)28-16-15-18-7-3-6-10-23(18)28/h3-14,26H,2,15-17H2,1H3,(H,27,30)
InChIKeyUVXGESTWQIIDMW-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.34
Rot. Bonds7

About 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide

2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide (PubChem CID 9105631) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide
PubChem CID9105631
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2NCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C25H25N3O3/c1-2-31-20-13-11-19(12-14-20)27-25(30)21-8-4-5-9-22(21)26-17-24(29)28-16-15-18-7-3-6-10-23(18)28/h3-14,26H,2,15-17H2,1H3,(H,27,30)
InChIKeyUVXGESTWQIIDMW-UHFFFAOYSA-N
XLogP4.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzamide
CID 18286918
1-(2,3-dihydroindol-1-yl)-2-[4-(2-methoxyethoxy)anilino]ethanone
CID 54822552
2-(2-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 54827804
1-(2,3-dihydroindol-1-yl)-2-[2-(2-ethoxyethoxy)anilino]ethanone
CID 54827531
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone
CID 9080490
N-[4-(3-amino-3-oxopropoxy)phenyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide
CID 55962914
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxyanilino)ethanone
CID 54825851
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethoxyanilino)propan-1-one
CID 8024233
2-(2-bromoanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 42069057
1-(2,3-dihydroindol-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione
CID 78781598
4-[[(1S,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 26057672
N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 2552865

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide?
The IUPAC name of 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide (CID 9105631) is 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide.
What is the SMILES notation for 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide?
The canonical SMILES for 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide is CCOc1ccc(NC(=O)c2ccccc2NCC(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide?
The InChIKey is UVXGESTWQIIDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-2-31-20-13-11-19(12-14-20)27-25(30)21-8-4-5-9-22(21)26-17-24(29)28-16-15-18-7-3-6-10-23(18)28/h3-14,26H,2,15-17H2,1H3,(H,27,30).
What are the key properties of 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide?
2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide has a molecular weight of 415.49 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide is sourced from PubChem (CID 9105631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).