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

C18H18N2O2 — CID 4549485

IUPAC2-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
SMILESCOc1ccccc1C(=O)NCc1ccc2[nH]c(C)cc2c1
InChIInChI=1S/C18H18N2O2/c1-12-9-14-10-13(7-8-16(14)20-12)11-19-18(21)15-5-3-4-6-17(15)22-2/h3-10,20H,11H2,1-2H3,(H,19,21)
InChIKeyAAIOMYTZQGGKIK-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.41
Rot. Bonds4

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

2-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide (PubChem CID 4549485) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
PubChem CID4549485
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
SMILESCOc1ccccc1C(=O)NCc1ccc2[nH]c(C)cc2c1
InChIInChI=1S/C18H18N2O2/c1-12-9-14-10-13(7-8-16(14)20-12)11-19-18(21)15-5-3-4-6-17(15)22-2/h3-10,20H,11H2,1-2H3,(H,19,21)
InChIKeyAAIOMYTZQGGKIK-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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Related Compounds

(2-methyl-1H-indol-5-yl)methylcarbamic acid
CID 118078535
4-fluoro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096418
2,6-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666083
2,4-dichloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096662
3-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096420
N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 17070136
(2R)-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]propanamide
CID 7158869
1-tert-butyl-3-[(2-methyl-1H-indol-5-yl)methyl]urea
CID 110668194
3,4-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666084
N-[(3-carbamothioylphenyl)methyl]-2-methoxybenzamide
CID 62311612
2-methoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 43905420
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxybenzamide
CID 110787049

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide?
The IUPAC name of 2-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide (CID 4549485) is 2-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide?
The canonical SMILES for 2-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide is COc1ccccc1C(=O)NCc1ccc2[nH]c(C)cc2c1.
What is the InChIKey of 2-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide?
The InChIKey is AAIOMYTZQGGKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12-9-14-10-13(7-8-16(14)20-12)11-19-18(21)15-5-3-4-6-17(15)22-2/h3-10,20H,11H2,1-2H3,(H,19,21).
What are the key properties of 2-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide?
2-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 2-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide is sourced from PubChem (CID 4549485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).