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

C18H18N2O2 — CID 113206042

IUPACN-(2,4-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide
SMILESCOc1ccc2[nH]cc(C(=O)Nc3ccc(C)cc3C)c2c1
InChIInChI=1S/C18H18N2O2/c1-11-4-6-16(12(2)8-11)20-18(21)15-10-19-17-7-5-13(22-3)9-14(15)17/h4-10,19H,1-3H3,(H,20,21)
InChIKeyLOUUCDTXJNSVKG-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.05
Rot. Bonds3

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

N-(2,4-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide (PubChem CID 113206042) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide
PubChem CID113206042
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-(2,4-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide
SMILESCOc1ccc2[nH]cc(C(=O)Nc3ccc(C)cc3C)c2c1
InChIInChI=1S/C18H18N2O2/c1-11-4-6-16(12(2)8-11)20-18(21)15-10-19-17-7-5-13(22-3)9-14(15)17/h4-10,19H,1-3H3,(H,20,21)
InChIKeyLOUUCDTXJNSVKG-UHFFFAOYSA-N
XLogP4.05
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-methylphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206110
5-methoxy-N-(4-methylphenyl)-1H-indole-3-carboxamide
CID 113206039
N-[4-(diethylamino)-2-methylphenyl]-5-methoxy-1H-indole-3-carboxamide
CID 113206131
N-(2,3-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206047
N-(2,4-dimethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210213
N-(4-bromo-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide
CID 113206671
6-methoxy-N-(4-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 43831865
2-(5-methoxy-1H-indol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide
CID 113208438
N-(2,3-dimethylphenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43832057
5-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide
CID 113206118
N-(2,4-dimethylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206239
N-(4-chlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206063

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide (CID 113206042) is N-(2,4-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide is COc1ccc2[nH]cc(C(=O)Nc3ccc(C)cc3C)c2c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide?
The InChIKey is LOUUCDTXJNSVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-11-4-6-16(12(2)8-11)20-18(21)15-10-19-17-7-5-13(22-3)9-14(15)17/h4-10,19H,1-3H3,(H,20,21).
What are the key properties of N-(2,4-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide?
N-(2,4-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide is sourced from PubChem (CID 113206042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).