N-[(4-methoxyphenyl)methyl]-1,5-dimethylindole-2-carboxamide

C19H20N2O2 — CID 7346145

IUPACN-[(4-methoxyphenyl)methyl]-1,5-dimethylindole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3cc(C)ccc3n2C)cc1
InChIInChI=1S/C19H20N2O2/c1-13-4-9-17-15(10-13)11-18(21(17)2)19(22)20-12-14-5-7-16(23-3)8-6-14/h4-11H,12H2,1-3H3,(H,20,22)
InChIKeyXIDBDDMEUMACBV-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.43
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-1,5-dimethylindole-2-carboxamide

N-[(4-methoxyphenyl)methyl]-1,5-dimethylindole-2-carboxamide (PubChem CID 7346145) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1,5-dimethylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1,5-dimethylindole-2-carboxamide
PubChem CID7346145
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-1,5-dimethylindole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3cc(C)ccc3n2C)cc1
InChIInChI=1S/C19H20N2O2/c1-13-4-9-17-15(10-13)11-18(21(17)2)19(22)20-12-14-5-7-16(23-3)8-6-14/h4-11H,12H2,1-3H3,(H,20,22)
InChIKeyXIDBDDMEUMACBV-UHFFFAOYSA-N
XLogP3.43
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pci-34051
CID 24753719
Asp-9521
CID 25210792
GR 46611
CID 6160690
2,3,4,9-Tetrahydro-6-methoxy-1H-pyrido(3,4-b)indol-1-one
CID 87372
Piperazine, 1-((5-methoxyindol-2-yl)carbonyl)-4-methyl-
CID 206876
[4-({[5-Benzyloxy-1-(3-Carbamimidoyl-Benzyl)-1h-Indole-2-Carbonyl]-Amino}-Methyl)-Phenyl]-Trimethyl-Ammonium
CID 446978
N-(1-Isopropylpiperidin-4-YL)-1-(3-methoxybenzyl)-1H-indole-2-carboxamide
CID 6540267
1,2,3,4-Tetrahydro pyrido[3,4-b]indole 25
CID 6539940
1,2,3,4-Tetrahydro pyrido[3,4-b]indole 29
CID 6539944
2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylphenyl)methyl]-4-methoxy-1H-indol-2-yl}formamido)methyl]-N,N,N-trimethylanilinium
CID 9829805
5-(benzyloxy)-N,1-bis[(3-carbamimidoylphenyl)methyl]-1H-indole-2-carboxamide
CID 10907552
2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylphenyl)methyl]-5-hydroxy-1H-indol-2-yl}formamido)methyl]-N,N,N-trimethylanilinium
CID 10929854

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1,5-dimethylindole-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1,5-dimethylindole-2-carboxamide (CID 7346145) is N-[(4-methoxyphenyl)methyl]-1,5-dimethylindole-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1,5-dimethylindole-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1,5-dimethylindole-2-carboxamide is COc1ccc(CNC(=O)c2cc3cc(C)ccc3n2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1,5-dimethylindole-2-carboxamide?
The InChIKey is XIDBDDMEUMACBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13-4-9-17-15(10-13)11-18(21(17)2)19(22)20-12-14-5-7-16(23-3)8-6-14/h4-11H,12H2,1-3H3,(H,20,22).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1,5-dimethylindole-2-carboxamide?
N-[(4-methoxyphenyl)methyl]-1,5-dimethylindole-2-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1,5-dimethylindole-2-carboxamide is sourced from PubChem (CID 7346145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).