N-(5-acetamido-2-methoxyphenyl)-1-methylindole-4-carboxamide

C19H19N3O3 — CID 51108315

IUPACN-(5-acetamido-2-methoxyphenyl)-1-methylindole-4-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1cccc2c1ccn2C
InChIInChI=1S/C19H19N3O3/c1-12(23)20-13-7-8-18(25-3)16(11-13)21-19(24)15-5-4-6-17-14(15)9-10-22(17)2/h4-11H,1-3H3,(H,20,23)(H,21,24)
InChIKeyCPFTWOXPRPJKOH-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.40
Rot. Bonds4

About N-(5-acetamido-2-methoxyphenyl)-1-methylindole-4-carboxamide

N-(5-acetamido-2-methoxyphenyl)-1-methylindole-4-carboxamide (PubChem CID 51108315) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-1-methylindole-4-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-1-methylindole-4-carboxamide
PubChem CID51108315
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-1-methylindole-4-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1cccc2c1ccn2C
InChIInChI=1S/C19H19N3O3/c1-12(23)20-13-7-8-18(25-3)16(11-13)21-19(24)15-5-4-6-17-14(15)9-10-22(17)2/h4-11H,1-3H3,(H,20,23)(H,21,24)
InChIKeyCPFTWOXPRPJKOH-UHFFFAOYSA-N
XLogP3.40
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-1-methylindole-4-carboxamide
CID 112520804
N-(5-acetamido-2-methoxyphenyl)-2,3-dimethylbenzamide
CID 8873770
N-(5-acetamido-2-methoxyphenyl)-2,3-dichlorobenzamide
CID 17429613
N-(5-acetamido-2-methoxyphenyl)quinoline-8-carboxamide
CID 17443177
N-[(3,4-dimethoxyphenyl)methyl]-1-methylindole-4-carboxamide
CID 45490502
N-(2,3-dichlorophenyl)-1-methylindole-4-carboxamide
CID 112524553
N-(2-methoxy-5-methylphenyl)-1-methylindole-3-carboxamide
CID 9208634
1-methyl-N-(4-phenoxyphenyl)indole-4-carboxamide
CID 112523940
N-(5-acetamido-2-methoxyphenyl)-3-methoxy-1-methylpyrazole-4-carboxamide
CID 16820968
N-(2-ethoxyphenyl)-1-methylindole-4-carboxamide
CID 112522704
N-(2,5-dimethoxyphenyl)-1-methylindole-3-carboxamide
CID 25343212
N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-methylindole-4-carboxamide
CID 166405453

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-1-methylindole-4-carboxamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-1-methylindole-4-carboxamide (CID 51108315) is N-(5-acetamido-2-methoxyphenyl)-1-methylindole-4-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-1-methylindole-4-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-1-methylindole-4-carboxamide is COc1ccc(NC(C)=O)cc1NC(=O)c1cccc2c1ccn2C.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-1-methylindole-4-carboxamide?
The InChIKey is CPFTWOXPRPJKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12(23)20-13-7-8-18(25-3)16(11-13)21-19(24)15-5-4-6-17-14(15)9-10-22(17)2/h4-11H,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-1-methylindole-4-carboxamide?
N-(5-acetamido-2-methoxyphenyl)-1-methylindole-4-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-1-methylindole-4-carboxamide is sourced from PubChem (CID 51108315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).