4,6,7-trimethoxy-N-[4-(propanoylamino)phenyl]-1H-indole-2-carboxamide

C21H23N3O5 — CID 55847127

IUPAC4,6,7-trimethoxy-N-[4-(propanoylamino)phenyl]-1H-indole-2-carboxamide
SMILESCCC(=O)Nc1ccc(NC(=O)c2cc3c(OC)cc(OC)c(OC)c3[nH]2)cc1
InChIInChI=1S/C21H23N3O5/c1-5-18(25)22-12-6-8-13(9-7-12)23-21(26)15-10-14-16(27-2)11-17(28-3)20(29-4)19(14)24-15/h6-11,24H,5H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyXJKBPTNWOCIQER-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.79
Rot. Bonds7

About 4,6,7-trimethoxy-N-[4-(propanoylamino)phenyl]-1H-indole-2-carboxamide

4,6,7-trimethoxy-N-[4-(propanoylamino)phenyl]-1H-indole-2-carboxamide (PubChem CID 55847127) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is 4,6,7-trimethoxy-N-[4-(propanoylamino)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,6,7-trimethoxy-N-[4-(propanoylamino)phenyl]-1H-indole-2-carboxamide
PubChem CID55847127
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name4,6,7-trimethoxy-N-[4-(propanoylamino)phenyl]-1H-indole-2-carboxamide
SMILESCCC(=O)Nc1ccc(NC(=O)c2cc3c(OC)cc(OC)c(OC)c3[nH]2)cc1
InChIInChI=1S/C21H23N3O5/c1-5-18(25)22-12-6-8-13(9-7-12)23-21(26)15-10-14-16(27-2)11-17(28-3)20(29-4)19(14)24-15/h6-11,24H,5H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyXJKBPTNWOCIQER-UHFFFAOYSA-N
XLogP3.79
TPSA101.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 31955158
N-(1,3-benzodioxol-5-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 39877251
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 39898700
N-[4-(3,4,5-trimethoxyanilino)phenyl]propanamide
CID 112989467
N-(4-tert-butylphenyl)-5,6,7-trimethoxy-1H-indole-2-carboxamide
CID 47027000
N-[3-(3-ethoxypropylcarbamoyl)phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 55968926
4,6,7-trimethoxy-N-[4-methyl-3-(5-methyltetrazol-1-yl)phenyl]-1H-indole-2-carboxamide
CID 56521176
4,6,7-trimethoxy-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 39904436
4,6,7-trimethoxy-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide
CID 55951801
N-(1H-benzimidazol-2-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 46445811
4,6,7-trimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55869036
2-[4-[(4,6-dimethoxy-1H-indole-2-carbonyl)amino]phenoxy]acetic acid
CID 167761114

Frequently Asked Questions

What is the IUPAC name of 4,6,7-trimethoxy-N-[4-(propanoylamino)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 4,6,7-trimethoxy-N-[4-(propanoylamino)phenyl]-1H-indole-2-carboxamide (CID 55847127) is 4,6,7-trimethoxy-N-[4-(propanoylamino)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4,6,7-trimethoxy-N-[4-(propanoylamino)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 4,6,7-trimethoxy-N-[4-(propanoylamino)phenyl]-1H-indole-2-carboxamide is CCC(=O)Nc1ccc(NC(=O)c2cc3c(OC)cc(OC)c(OC)c3[nH]2)cc1.
What is the InChIKey of 4,6,7-trimethoxy-N-[4-(propanoylamino)phenyl]-1H-indole-2-carboxamide?
The InChIKey is XJKBPTNWOCIQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-5-18(25)22-12-6-8-13(9-7-12)23-21(26)15-10-14-16(27-2)11-17(28-3)20(29-4)19(14)24-15/h6-11,24H,5H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of 4,6,7-trimethoxy-N-[4-(propanoylamino)phenyl]-1H-indole-2-carboxamide?
4,6,7-trimethoxy-N-[4-(propanoylamino)phenyl]-1H-indole-2-carboxamide has a molecular weight of 397.43 g/mol, XLogP of 3.79, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trimethoxy-N-[4-(propanoylamino)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 55847127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).