N-(3,4-diethoxyphenyl)-2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide

C24H31N3O4 — CID 46801791

IUPACN-(3,4-diethoxyphenyl)-2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
SMILESCCOc1ccc(NC(=O)CN(C)C(C)C(=O)N2CCc3ccccc32)cc1OCC
InChIInChI=1S/C24H31N3O4/c1-5-30-21-12-11-19(15-22(21)31-6-2)25-23(28)16-26(4)17(3)24(29)27-14-13-18-9-7-8-10-20(18)27/h7-12,15,17H,5-6,13-14,16H2,1-4H3,(H,25,28)
InChIKeyBNAZZXNAJUZGTM-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.33
Rot. Bonds9

About N-(3,4-diethoxyphenyl)-2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide

N-(3,4-diethoxyphenyl)-2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide (PubChem CID 46801791) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
PubChem CID46801791
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC NameN-(3,4-diethoxyphenyl)-2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
SMILESCCOc1ccc(NC(=O)CN(C)C(C)C(=O)N2CCc3ccccc32)cc1OCC
InChIInChI=1S/C24H31N3O4/c1-5-30-21-12-11-19(15-22(21)31-6-2)25-23(28)16-26(4)17(3)24(29)27-14-13-18-9-7-8-10-20(18)27/h7-12,15,17H,5-6,13-14,16H2,1-4H3,(H,25,28)
InChIKeyBNAZZXNAJUZGTM-UHFFFAOYSA-N
XLogP3.33
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,4-diethoxyphenyl)-2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide with MolForge

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Related Compounds

2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8000597
(2R)-1-(2,3-dihydroindol-1-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propan-1-one
CID 8515151
2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 9049766
[2-(3,4-diethoxyanilino)-2-oxoethyl]-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylazanium
CID 8818636
(2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 2658568
2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119912469
N-(3,4-diethoxyphenyl)-2-[[(2S)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide
CID 11937853
N-cyclopropyl-2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 9053395
N-(3,4-diethoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 7910523
(2S)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide
CID 9223025
N-(3-bromophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 24506793
N-(2-cyanophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 46801790

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide (CID 46801791) is N-(3,4-diethoxyphenyl)-2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide is CCOc1ccc(NC(=O)CN(C)C(C)C(=O)N2CCc3ccccc32)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide?
The InChIKey is BNAZZXNAJUZGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-5-30-21-12-11-19(15-22(21)31-6-2)25-23(28)16-26(4)17(3)24(29)27-14-13-18-9-7-8-10-20(18)27/h7-12,15,17H,5-6,13-14,16H2,1-4H3,(H,25,28).
What are the key properties of N-(3,4-diethoxyphenyl)-2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide?
N-(3,4-diethoxyphenyl)-2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide has a molecular weight of 425.53 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide is sourced from PubChem (CID 46801791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).