N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide

C20H20N2O4 — CID 101138067

IUPACN-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCOc1ccc([C@H](C)NC(=O)C(=O)c2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C20H20N2O4/c1-12(13-8-9-17(25-2)18(10-13)26-3)22-20(24)19(23)15-11-21-16-7-5-4-6-14(15)16/h4-12,21H,1-3H3,(H,22,24)/t12-/m0/s1
InChIKeyFVZAOOBWDJAZSH-LBPRGKRZSA-N
MW352.39 g/mol
LogP3.25
Rot. Bonds6

About N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide

N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 101138067) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID101138067
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCOc1ccc([C@H](C)NC(=O)C(=O)c2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C20H20N2O4/c1-12(13-8-9-17(25-2)18(10-13)26-3)22-20(24)19(23)15-11-21-16-7-5-4-6-14(15)16/h4-12,21H,1-3H3,(H,22,24)/t12-/m0/s1
InChIKeyFVZAOOBWDJAZSH-LBPRGKRZSA-N
XLogP3.25
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 38112263
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108510193
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
CID 108507825
N-[(2R)-butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7117283
N-(5-acetamido-2-methoxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7117383
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxypropyl)oxamide
CID 108510076
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 2894493
methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 40855593
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)oxamide
CID 108504806
N-[(2S)-4-(dimethylamino)butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 66664820
N-[1-(4-aminophenyl)ethyl]-1H-indole-3-carboxamide
CID 116650078
(2R)-1-(1H-indol-3-yl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylethanone
CID 31443537

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide (CID 101138067) is N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide is COc1ccc([C@H](C)NC(=O)C(=O)c2c[nH]c3ccccc23)cc1OC.
What is the InChIKey of N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is FVZAOOBWDJAZSH-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-12(13-8-9-17(25-2)18(10-13)26-3)22-20(24)19(23)15-11-21-16-7-5-4-6-14(15)16/h4-12,21H,1-3H3,(H,22,24)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 352.39 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 101138067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).