N-(3-acetamidophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide

C19H19N3O4 — CID 113207001

IUPACN-(3-acetamidophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
SMILESCOc1cc2[nH]cc(C(=O)Nc3cccc(NC(C)=O)c3)c2cc1OC
InChIInChI=1S/C19H19N3O4/c1-11(23)21-12-5-4-6-13(7-12)22-19(24)15-10-20-16-9-18(26-3)17(25-2)8-14(15)16/h4-10,20H,1-3H3,(H,21,23)(H,22,24)
InChIKeyRETOHQOCMBQTLW-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.40
Rot. Bonds5

About N-(3-acetamidophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide

N-(3-acetamidophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide (PubChem CID 113207001) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
PubChem CID113207001
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-(3-acetamidophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
SMILESCOc1cc2[nH]cc(C(=O)Nc3cccc(NC(C)=O)c3)c2cc1OC
InChIInChI=1S/C19H19N3O4/c1-11(23)21-12-5-4-6-13(7-12)22-19(24)15-10-20-16-9-18(26-3)17(25-2)8-14(15)16/h4-10,20H,1-3H3,(H,21,23)(H,22,24)
InChIKeyRETOHQOCMBQTLW-UHFFFAOYSA-N
XLogP3.40
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dimethoxy-N-(3-methoxyphenyl)-1H-indole-3-carboxamide
CID 113206986
5,6-dimethoxy-N-phenyl-1H-indole-3-carboxamide
CID 113206946
N-(2,6-difluorophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113207048
N-(2,6-diethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113206966
5,6-dimethoxy-N-(4-propan-2-yloxyphenyl)-1H-indole-3-carboxamide
CID 113206992
5,6-dimethoxy-N-(2-propan-2-yloxyphenyl)-1H-indole-3-carboxamide
CID 113206991
N-(3-hydroxyphenyl)-5,6,7-trimethoxy-4-oxo-1H-quinoline-3-carboxamide
CID 137464589
N-cyclopropyl-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113206859
N-(3-acetamidophenyl)-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide
CID 113211325
N-(3-acetamidophenyl)-2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 3237553
5-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide
CID 113206118
N-(2-chloro-4,6-dimethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113206980

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide (CID 113207001) is N-(3-acetamidophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide is COc1cc2[nH]cc(C(=O)Nc3cccc(NC(C)=O)c3)c2cc1OC.
What is the InChIKey of N-(3-acetamidophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide?
The InChIKey is RETOHQOCMBQTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-11(23)21-12-5-4-6-13(7-12)22-19(24)15-10-20-16-9-18(26-3)17(25-2)8-14(15)16/h4-10,20H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(3-acetamidophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide?
N-(3-acetamidophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 3.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide is sourced from PubChem (CID 113207001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).