N-[(1,2-dimethylindol-5-yl)methyl]-3-methoxybenzamide

C19H20N2O2 — CID 5064384

IUPACN-[(1,2-dimethylindol-5-yl)methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2ccc3c(c2)cc(C)n3C)c1
InChIInChI=1S/C19H20N2O2/c1-13-9-16-10-14(7-8-18(16)21(13)2)12-20-19(22)15-5-4-6-17(11-15)23-3/h4-11H,12H2,1-3H3,(H,20,22)
InChIKeyLUJRGHLPIGTTJP-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.43
Rot. Bonds4

About N-[(1,2-dimethylindol-5-yl)methyl]-3-methoxybenzamide

N-[(1,2-dimethylindol-5-yl)methyl]-3-methoxybenzamide (PubChem CID 5064384) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(1,2-dimethylindol-5-yl)methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(1,2-dimethylindol-5-yl)methyl]-3-methoxybenzamide
PubChem CID5064384
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[(1,2-dimethylindol-5-yl)methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2ccc3c(c2)cc(C)n3C)c1
InChIInChI=1S/C19H20N2O2/c1-13-9-16-10-14(7-8-18(16)21(13)2)12-20-19(22)15-5-4-6-17(11-15)23-3/h4-11H,12H2,1-3H3,(H,20,22)
InChIKeyLUJRGHLPIGTTJP-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

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CID 11493740
LM-4108
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Iik7
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K185
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[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
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2-(1-Benzyl-5-methoxy-2-methyl-1h-indol-3-yl)acetamide
CID 244154
Ammtc
CID 5311004
Rezatapopt
CID 156195543
2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylphenyl)methyl]-4-methoxy-1H-indol-2-yl}formamido)methyl]-N,N,N-trimethylanilinium
CID 9829805
1H-Indole-3-acetamide, 1-(4-chlorobenzoyl)-5-methoxy-N,2-dimethyl-
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Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]-3-methoxybenzamide?
The IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]-3-methoxybenzamide (CID 5064384) is N-[(1,2-dimethylindol-5-yl)methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[(1,2-dimethylindol-5-yl)methyl]-3-methoxybenzamide?
The canonical SMILES for N-[(1,2-dimethylindol-5-yl)methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCc2ccc3c(c2)cc(C)n3C)c1.
What is the InChIKey of N-[(1,2-dimethylindol-5-yl)methyl]-3-methoxybenzamide?
The InChIKey is LUJRGHLPIGTTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13-9-16-10-14(7-8-18(16)21(13)2)12-20-19(22)15-5-4-6-17(11-15)23-3/h4-11H,12H2,1-3H3,(H,20,22).
What are the key properties of N-[(1,2-dimethylindol-5-yl)methyl]-3-methoxybenzamide?
N-[(1,2-dimethylindol-5-yl)methyl]-3-methoxybenzamide 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-[(1,2-dimethylindol-5-yl)methyl]-3-methoxybenzamide is sourced from PubChem (CID 5064384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).