N-[(1,2-dimethylindol-5-yl)methyl]-4-methoxybenzamide

C19H20N2O2 — CID 4278748

IUPACN-[(1,2-dimethylindol-5-yl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc3c(c2)cc(C)n3C)cc1
InChIInChI=1S/C19H20N2O2/c1-13-10-16-11-14(4-9-18(16)21(13)2)12-20-19(22)15-5-7-17(23-3)8-6-15/h4-11H,12H2,1-3H3,(H,20,22)
InChIKeyRKTUGFMPAHNAQA-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.43
Rot. Bonds4

About N-[(1,2-dimethylindol-5-yl)methyl]-4-methoxybenzamide

N-[(1,2-dimethylindol-5-yl)methyl]-4-methoxybenzamide (PubChem CID 4278748) 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]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(1,2-dimethylindol-5-yl)methyl]-4-methoxybenzamide
PubChem CID4278748
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[(1,2-dimethylindol-5-yl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc3c(c2)cc(C)n3C)cc1
InChIInChI=1S/C19H20N2O2/c1-13-10-16-11-14(4-9-18(16)21(13)2)12-20-19(22)15-5-7-17(23-3)8-6-15/h4-11H,12H2,1-3H3,(H,20,22)
InChIKeyRKTUGFMPAHNAQA-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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Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]-4-methoxybenzamide?
The IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]-4-methoxybenzamide (CID 4278748) is N-[(1,2-dimethylindol-5-yl)methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(1,2-dimethylindol-5-yl)methyl]-4-methoxybenzamide?
The canonical SMILES for N-[(1,2-dimethylindol-5-yl)methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCc2ccc3c(c2)cc(C)n3C)cc1.
What is the InChIKey of N-[(1,2-dimethylindol-5-yl)methyl]-4-methoxybenzamide?
The InChIKey is RKTUGFMPAHNAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13-10-16-11-14(4-9-18(16)21(13)2)12-20-19(22)15-5-7-17(23-3)8-6-15/h4-11H,12H2,1-3H3,(H,20,22).
What are the key properties of N-[(1,2-dimethylindol-5-yl)methyl]-4-methoxybenzamide?
N-[(1,2-dimethylindol-5-yl)methyl]-4-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]-4-methoxybenzamide is sourced from PubChem (CID 4278748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).