2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]-N-(3-methoxyphenyl)acetamide

C21H25N3O3 — CID 8000597

IUPAC2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C21H25N3O3/c1-15(21(26)24-12-11-16-7-4-5-10-19(16)24)23(2)14-20(25)22-17-8-6-9-18(13-17)27-3/h4-10,13,15H,11-12,14H2,1-3H3,(H,22,25)/t15-/m0/s1
InChIKeyQQODTSVSSBYBSJ-HNNXBMFYSA-N
MW367.45 g/mol
LogP2.54
Rot. Bonds6

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

2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]-N-(3-methoxyphenyl)acetamide (PubChem CID 8000597) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]-N-(3-methoxyphenyl)acetamide
PubChem CID8000597
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C21H25N3O3/c1-15(21(26)24-12-11-16-7-4-5-10-19(16)24)23(2)14-20(25)22-17-8-6-9-18(13-17)27-3/h4-10,13,15H,11-12,14H2,1-3H3,(H,22,25)/t15-/m0/s1
InChIKeyQQODTSVSSBYBSJ-HNNXBMFYSA-N
XLogP2.54
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]-N-(3-methoxyphenyl)acetamide 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

N-(3,4-diethoxyphenyl)-2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 46801791
N-(3-methoxyphenyl)-2-[methyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetamide
CID 4880688
2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 9049766
(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide
CID 8555923
N-cyclopropyl-2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 9053395
N-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338657
1-(2,3-dihydroindole-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 108981079
N-benzyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 17430525
(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide
CID 9198346
1-(2,3-dihydroindol-1-yl)-3-(3-methoxyanilino)propan-1-one
CID 109034751
N-(3-methoxyphenyl)-2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 4965762
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8554618

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]-N-(3-methoxyphenyl)acetamide (CID 8000597) is 2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is QQODTSVSSBYBSJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15(21(26)24-12-11-16-7-4-5-10-19(16)24)23(2)14-20(25)22-17-8-6-9-18(13-17)27-3/h4-10,13,15H,11-12,14H2,1-3H3,(H,22,25)/t15-/m0/s1.
What are the key properties of 2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]-N-(3-methoxyphenyl)acetamide?
2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 367.45 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 8000597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).