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

C21H22N2O4 — CID 38112263

IUPACN-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCOc1ccc(C[C@@H](C)NC(=O)C(=O)c2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C21H22N2O4/c1-13(10-14-8-9-18(26-2)19(11-14)27-3)23-21(25)20(24)16-12-22-17-7-5-4-6-15(16)17/h4-9,11-13,22H,10H2,1-3H3,(H,23,25)/t13-/m1/s1
InChIKeySDVQOSDVUJAHNG-CYBMUJFWSA-N
MW366.42 g/mol
LogP3.12
Rot. Bonds7

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

N-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 38112263) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID38112263
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCOc1ccc(C[C@@H](C)NC(=O)C(=O)c2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C21H22N2O4/c1-13(10-14-8-9-18(26-2)19(11-14)27-3)23-21(25)20(24)16-12-22-17-7-5-4-6-15(16)17/h4-9,11-13,22H,10H2,1-3H3,(H,23,25)/t13-/m1/s1
InChIKeySDVQOSDVUJAHNG-CYBMUJFWSA-N
XLogP3.12
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide 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-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 101138067
N-[(2R)-butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7117283
N-[(2S)-4-(dimethylamino)butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 66664820
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 139749507
N-[(2R)-5-(diethylamino)pentan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7117299
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-(1H-indol-3-yl)ethanone
CID 2452418
N-(5-acetamido-2-methoxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7117383
N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide
CID 43582090
methyl (2S)-2-[[2-(6-fluoro-1H-indol-3-yl)-2-oxoacetyl]amino]-3-(1H-indol-3-yl)propanoate
CID 146146366
N-(1-methoxypropan-2-yl)-1H-indole-3-carboxamide
CID 18712226
1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol
CID 43499278
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)urea
CID 7616000

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide (CID 38112263) is N-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide is COc1ccc(C[C@@H](C)NC(=O)C(=O)c2c[nH]c3ccccc23)cc1OC.
What is the InChIKey of N-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is SDVQOSDVUJAHNG-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-13(10-14-8-9-18(26-2)19(11-14)27-3)23-21(25)20(24)16-12-22-17-7-5-4-6-15(16)17/h4-9,11-13,22H,10H2,1-3H3,(H,23,25)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide?
N-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 366.42 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 38112263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).