N-(5-acetamido-2-methoxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide

C19H17N3O4 — CID 7117383

IUPACN-(5-acetamido-2-methoxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H17N3O4/c1-11(23)21-12-7-8-17(26-2)16(9-12)22-19(25)18(24)14-10-20-15-6-4-3-5-13(14)15/h3-10,20H,1-2H3,(H,21,23)(H,22,25)
InChIKeyQPESSEZWEOLWBG-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.96
Rot. Bonds5

About N-(5-acetamido-2-methoxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide

N-(5-acetamido-2-methoxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 7117383) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID7117383
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H17N3O4/c1-11(23)21-12-7-8-17(26-2)16(9-12)22-19(25)18(24)14-10-20-15-6-4-3-5-13(14)15/h3-10,20H,1-2H3,(H,21,23)(H,22,25)
InChIKeyQPESSEZWEOLWBG-UHFFFAOYSA-N
XLogP2.96
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 42091850
N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide
CID 55695694
2-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide
CID 113208672
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 9016765
2-(1H-indol-3-yl)-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide
CID 44596787
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 101138067
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1H-indole-3-carboxylate
CID 7492929
N-(5-acetamido-2-methoxyphenyl)-8-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 51053181
N-(2-fluorophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 2986288
N-(4-chloro-2,5-dimethoxyphenyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide
CID 113208892
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate
CID 7888845
N-(4-cyanophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 27161298

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide (CID 7117383) is N-(5-acetamido-2-methoxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide is COc1ccc(NC(C)=O)cc1NC(=O)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is QPESSEZWEOLWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-11(23)21-12-7-8-17(26-2)16(9-12)22-19(25)18(24)14-10-20-15-6-4-3-5-13(14)15/h3-10,20H,1-2H3,(H,21,23)(H,22,25).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide?
N-(5-acetamido-2-methoxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 351.36 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 7117383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).