N-(2-carbamoyl-4,5-dimethoxyphenyl)-3-methoxy-1H-indole-2-carboxamide

C19H19N3O5 — CID 155945887

IUPACN-(2-carbamoyl-4,5-dimethoxyphenyl)-3-methoxy-1H-indole-2-carboxamide
SMILESCOc1cc(NC(=O)c2[nH]c3ccccc3c2OC)c(C(N)=O)cc1OC
InChIInChI=1S/C19H19N3O5/c1-25-14-8-11(18(20)23)13(9-15(14)26-2)22-19(24)16-17(27-3)10-6-4-5-7-12(10)21-16/h4-9,21H,1-3H3,(H2,20,23)(H,22,24)
InChIKeyHGJRKFKWZKIJTP-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.54
Rot. Bonds6

About N-(2-carbamoyl-4,5-dimethoxyphenyl)-3-methoxy-1H-indole-2-carboxamide

N-(2-carbamoyl-4,5-dimethoxyphenyl)-3-methoxy-1H-indole-2-carboxamide (PubChem CID 155945887) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-(2-carbamoyl-4,5-dimethoxyphenyl)-3-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoyl-4,5-dimethoxyphenyl)-3-methoxy-1H-indole-2-carboxamide
PubChem CID155945887
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC NameN-(2-carbamoyl-4,5-dimethoxyphenyl)-3-methoxy-1H-indole-2-carboxamide
SMILESCOc1cc(NC(=O)c2[nH]c3ccccc3c2OC)c(C(N)=O)cc1OC
InChIInChI=1S/C19H19N3O5/c1-25-14-8-11(18(20)23)13(9-15(14)26-2)22-19(24)16-17(27-3)10-6-4-5-7-12(10)21-16/h4-9,21H,1-3H3,(H2,20,23)(H,22,24)
InChIKeyHGJRKFKWZKIJTP-UHFFFAOYSA-N
XLogP2.54
TPSA115.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204283
N-cyclopropyl-3-methoxy-1H-indole-2-carboxamide
CID 166192754
N-(2-carbamoyl-4,5-dimethoxyphenyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 60602188
N-(2-methoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 917217
4,5-dimethoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 71741197
2-[[2-(2-carboxyphenyl)benzoyl]amino]-4,5-dimethoxybenzoic acid
CID 17341130
4,5-dimethoxy-2-[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]benzamide
CID 54112532
N-(2,5-dimethoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 4779254
N-(2-aminophenyl)-3-phenyl-1H-indole-2-carboxamide
CID 90732730
4,5-dimethoxy-2-(2-phenylethylamino)benzamide
CID 141146407
4,5-dimethoxy-2-phenylbenzamide
CID 141317116
2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-4,5-dimethoxybenzamide
CID 47085140

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoyl-4,5-dimethoxyphenyl)-3-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-(2-carbamoyl-4,5-dimethoxyphenyl)-3-methoxy-1H-indole-2-carboxamide (CID 155945887) is N-(2-carbamoyl-4,5-dimethoxyphenyl)-3-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-carbamoyl-4,5-dimethoxyphenyl)-3-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-carbamoyl-4,5-dimethoxyphenyl)-3-methoxy-1H-indole-2-carboxamide is COc1cc(NC(=O)c2[nH]c3ccccc3c2OC)c(C(N)=O)cc1OC.
What is the InChIKey of N-(2-carbamoyl-4,5-dimethoxyphenyl)-3-methoxy-1H-indole-2-carboxamide?
The InChIKey is HGJRKFKWZKIJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-25-14-8-11(18(20)23)13(9-15(14)26-2)22-19(24)16-17(27-3)10-6-4-5-7-12(10)21-16/h4-9,21H,1-3H3,(H2,20,23)(H,22,24).
What are the key properties of N-(2-carbamoyl-4,5-dimethoxyphenyl)-3-methoxy-1H-indole-2-carboxamide?
N-(2-carbamoyl-4,5-dimethoxyphenyl)-3-methoxy-1H-indole-2-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoyl-4,5-dimethoxyphenyl)-3-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 155945887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).