N-(1H-indol-3-ylmethyl)-3,4-dimethoxy-N-methylbenzamide

C19H20N2O3 — CID 110733002

IUPACN-(1H-indol-3-ylmethyl)-3,4-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C19H20N2O3/c1-21(12-14-11-20-16-7-5-4-6-15(14)16)19(22)13-8-9-17(23-2)18(10-13)24-3/h4-11,20H,12H2,1-3H3
InChIKeyJIWDEXWDJMUVGH-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.46
Rot. Bonds5

About N-(1H-indol-3-ylmethyl)-3,4-dimethoxy-N-methylbenzamide

N-(1H-indol-3-ylmethyl)-3,4-dimethoxy-N-methylbenzamide (PubChem CID 110733002) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethyl)-3,4-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethyl)-3,4-dimethoxy-N-methylbenzamide
PubChem CID110733002
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-(1H-indol-3-ylmethyl)-3,4-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C19H20N2O3/c1-21(12-14-11-20-16-7-5-4-6-15(14)16)19(22)13-8-9-17(23-2)18(10-13)24-3/h4-11,20H,12H2,1-3H3
InChIKeyJIWDEXWDJMUVGH-UHFFFAOYSA-N
XLogP3.46
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3,4-dimethoxy-N-(2-phenylethyl)benzamide
CID 42777881
methyl 2-[1H-indol-3-ylmethyl(methyl)amino]-2-oxoacetate
CID 115142476
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 9182620
N'-(1H-indol-3-ylmethyl)-N'-methyloxamide
CID 115191974
3-ethoxy-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028026
3-(3,4-dimethoxybenzoyl)-1H-quinolin-4-one
CID 53337347
3-bromo-N-[(2-hydroxyphenyl)methyl]-4-methoxy-N-methylbenzamide
CID 60978582
(3,4-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]methanone;oxalic acid
CID 17366083
4-butyl-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide
CID 42701759
N-(1H-indol-3-ylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 110357480
N-[2-(tert-butylamino)-1-(1H-indol-3-yl)-2-oxoethyl]-3,4-dimethoxy-N-phenylbenzamide
CID 3190327
2-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 46591974

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethyl)-3,4-dimethoxy-N-methylbenzamide?
The IUPAC name of N-(1H-indol-3-ylmethyl)-3,4-dimethoxy-N-methylbenzamide (CID 110733002) is N-(1H-indol-3-ylmethyl)-3,4-dimethoxy-N-methylbenzamide.
What is the SMILES notation for N-(1H-indol-3-ylmethyl)-3,4-dimethoxy-N-methylbenzamide?
The canonical SMILES for N-(1H-indol-3-ylmethyl)-3,4-dimethoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)Cc2c[nH]c3ccccc23)cc1OC.
What is the InChIKey of N-(1H-indol-3-ylmethyl)-3,4-dimethoxy-N-methylbenzamide?
The InChIKey is JIWDEXWDJMUVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-21(12-14-11-20-16-7-5-4-6-15(14)16)19(22)13-8-9-17(23-2)18(10-13)24-3/h4-11,20H,12H2,1-3H3.
What are the key properties of N-(1H-indol-3-ylmethyl)-3,4-dimethoxy-N-methylbenzamide?
N-(1H-indol-3-ylmethyl)-3,4-dimethoxy-N-methylbenzamide has a molecular weight of 324.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethyl)-3,4-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 110733002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).