N-(3-acetamido-4-methoxyphenyl)-4,6-dimethyl-1H-indole-2-carboxamide

C20H21N3O3 — CID 134050967

IUPACN-(3-acetamido-4-methoxyphenyl)-4,6-dimethyl-1H-indole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(C)cc(C)cc3[nH]2)cc1NC(C)=O
InChIInChI=1S/C20H21N3O3/c1-11-7-12(2)15-10-18(23-16(15)8-11)20(25)22-14-5-6-19(26-4)17(9-14)21-13(3)24/h5-10,23H,1-4H3,(H,21,24)(H,22,25)
InChIKeyWIKZKRLUFQIRAI-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.00
Rot. Bonds4

About N-(3-acetamido-4-methoxyphenyl)-4,6-dimethyl-1H-indole-2-carboxamide

N-(3-acetamido-4-methoxyphenyl)-4,6-dimethyl-1H-indole-2-carboxamide (PubChem CID 134050967) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(3-acetamido-4-methoxyphenyl)-4,6-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methoxyphenyl)-4,6-dimethyl-1H-indole-2-carboxamide
PubChem CID134050967
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(3-acetamido-4-methoxyphenyl)-4,6-dimethyl-1H-indole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(C)cc(C)cc3[nH]2)cc1NC(C)=O
InChIInChI=1S/C20H21N3O3/c1-11-7-12(2)15-10-18(23-16(15)8-11)20(25)22-14-5-6-19(26-4)17(9-14)21-13(3)24/h5-10,23H,1-4H3,(H,21,24)(H,22,25)
InChIKeyWIKZKRLUFQIRAI-UHFFFAOYSA-N
XLogP4.00
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethoxyphenyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 134032979
N-(4-fluorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 46669157
N-(3-acetamido-4-methoxyphenyl)-5-chloro-1H-indole-2-carboxamide
CID 55556002
N-(5-acetamido-2-methoxyphenyl)-4-fluoro-1H-indole-2-carboxamide
CID 36800098
N-(5-acetamido-2-methoxyphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 46445599
N-(2-chlorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 2742882
N-(3-acetamido-4-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 46543736
N-(3-acetamido-4-methylphenyl)-3H-benzo[e]indole-2-carboxamide
CID 87019067
N-[2-methoxy-5-(methylamino)phenyl]acetamide
CID 82649039
5-chloro-N-[4-methoxy-3-[(2-methylbenzoyl)amino]phenyl]-1H-indole-2-carboxamide
CID 46323222
N-(3-acetamido-4-methoxyphenyl)-3-bromobenzamide
CID 35346015
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 43048357

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methoxyphenyl)-4,6-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-(3-acetamido-4-methoxyphenyl)-4,6-dimethyl-1H-indole-2-carboxamide (CID 134050967) is N-(3-acetamido-4-methoxyphenyl)-4,6-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-methoxyphenyl)-4,6-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(3-acetamido-4-methoxyphenyl)-4,6-dimethyl-1H-indole-2-carboxamide is COc1ccc(NC(=O)c2cc3c(C)cc(C)cc3[nH]2)cc1NC(C)=O.
What is the InChIKey of N-(3-acetamido-4-methoxyphenyl)-4,6-dimethyl-1H-indole-2-carboxamide?
The InChIKey is WIKZKRLUFQIRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-11-7-12(2)15-10-18(23-16(15)8-11)20(25)22-14-5-6-19(26-4)17(9-14)21-13(3)24/h5-10,23H,1-4H3,(H,21,24)(H,22,25).
What are the key properties of N-(3-acetamido-4-methoxyphenyl)-4,6-dimethyl-1H-indole-2-carboxamide?
N-(3-acetamido-4-methoxyphenyl)-4,6-dimethyl-1H-indole-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 4.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methoxyphenyl)-4,6-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 134050967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).