N-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)benzamide

C19H20N2O2 — CID 51200340

IUPACN-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)benzamide
SMILESCOCc1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H20N2O2/c1-23-13-14-5-4-6-15(11-14)19(22)20-10-9-16-12-21-18-8-3-2-7-17(16)18/h2-8,11-12,21H,9-10,13H2,1H3,(H,20,22)
InChIKeyDCDZOONRVLQOKC-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.29
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)benzamide

N-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)benzamide (PubChem CID 51200340) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)benzamide
PubChem CID51200340
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)benzamide
SMILESCOCc1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H20N2O2/c1-23-13-14-5-4-6-15(11-14)19(22)20-10-9-16-12-21-18-8-3-2-7-17(16)18/h2-8,11-12,21H,9-10,13H2,1H3,(H,20,22)
InChIKeyDCDZOONRVLQOKC-UHFFFAOYSA-N
XLogP3.29
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052528
3-(cyanomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 82179549
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235
3-N,3-N-diethyl-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,3-dicarboxamide
CID 109055657
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 9120119
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
3-(methoxymethyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115342
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050911
3-(tert-butylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645056
3-(carbamoylamino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26245340
3,4-diethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645310
N-[2-(1H-indol-3-yl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 27645730

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)benzamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)benzamide (CID 51200340) is N-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)benzamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)benzamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)benzamide is COCc1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)benzamide?
The InChIKey is DCDZOONRVLQOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-23-13-14-5-4-6-15(11-14)19(22)20-10-9-16-12-21-18-8-3-2-7-17(16)18/h2-8,11-12,21H,9-10,13H2,1H3,(H,20,22).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)benzamide?
N-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)benzamide has a molecular weight of 308.38 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)benzamide is sourced from PubChem (CID 51200340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).