3-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide

C18H18N2O2 — CID 4549486

IUPAC3-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2ccc3[nH]c(C)cc3c2)c1
InChIInChI=1S/C18H18N2O2/c1-12-8-15-9-13(6-7-17(15)20-12)11-19-18(21)14-4-3-5-16(10-14)22-2/h3-10,20H,11H2,1-2H3,(H,19,21)
InChIKeyYIHYHDHWBNQFDF-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.41
Rot. Bonds4

About 3-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide

3-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide (PubChem CID 4549486) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
PubChem CID4549486
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2ccc3[nH]c(C)cc3c2)c1
InChIInChI=1S/C18H18N2O2/c1-12-8-15-9-13(6-7-17(15)20-12)11-19-18(21)14-4-3-5-16(10-14)22-2/h3-10,20H,11H2,1-2H3,(H,19,21)
InChIKeyYIHYHDHWBNQFDF-UHFFFAOYSA-N
XLogP3.41
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide?
The IUPAC name of 3-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide (CID 4549486) is 3-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide?
The canonical SMILES for 3-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide is COc1cccc(C(=O)NCc2ccc3[nH]c(C)cc3c2)c1.
What is the InChIKey of 3-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide?
The InChIKey is YIHYHDHWBNQFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12-8-15-9-13(6-7-17(15)20-12)11-19-18(21)14-4-3-5-16(10-14)22-2/h3-10,20H,11H2,1-2H3,(H,19,21).
What are the key properties of 3-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide?
3-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide has a molecular weight of 294.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide is sourced from PubChem (CID 4549486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).