3-(1H-indol-6-yl)-N-[(3-methoxyphenyl)methyl]propanamide

C19H20N2O2 — CID 71840754

IUPAC3-(1H-indol-6-yl)-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)CCc2ccc3cc[nH]c3c2)c1
InChIInChI=1S/C19H20N2O2/c1-23-17-4-2-3-15(11-17)13-21-19(22)8-6-14-5-7-16-9-10-20-18(16)12-14/h2-5,7,9-12,20H,6,8,13H2,1H3,(H,21,22)
InChIKeyUFTYTJFCMPXPDI-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.43
Rot. Bonds6

About 3-(1H-indol-6-yl)-N-[(3-methoxyphenyl)methyl]propanamide

3-(1H-indol-6-yl)-N-[(3-methoxyphenyl)methyl]propanamide (PubChem CID 71840754) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-(1H-indol-6-yl)-N-[(3-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-6-yl)-N-[(3-methoxyphenyl)methyl]propanamide
PubChem CID71840754
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3-(1H-indol-6-yl)-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)CCc2ccc3cc[nH]c3c2)c1
InChIInChI=1S/C19H20N2O2/c1-23-17-4-2-3-15(11-17)13-21-19(22)8-6-14-5-7-16-9-10-20-18(16)12-14/h2-5,7,9-12,20H,6,8,13H2,1H3,(H,21,22)
InChIKeyUFTYTJFCMPXPDI-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 43030428
N-(1H-indol-5-yl)-3-(3-methoxyphenyl)propanamide
CID 110730751
3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4782159
3-[[3-(3-methoxyphenyl)propanoylamino]methyl]-N,N-dimethylbenzamide
CID 46401457
3-(1-ethylindol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 71840847
3-(1H-indol-6-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 71840750
N-[(3-methoxyphenyl)methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 47007299
3-(3-methoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]propanamide
CID 110785147
N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107023733
N-[(3,5-dimethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide
CID 53160300
N-(1H-indol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine
CID 17221716
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-6-yl)-N-[(3-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(1H-indol-6-yl)-N-[(3-methoxyphenyl)methyl]propanamide (CID 71840754) is 3-(1H-indol-6-yl)-N-[(3-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(1H-indol-6-yl)-N-[(3-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(1H-indol-6-yl)-N-[(3-methoxyphenyl)methyl]propanamide is COc1cccc(CNC(=O)CCc2ccc3cc[nH]c3c2)c1.
What is the InChIKey of 3-(1H-indol-6-yl)-N-[(3-methoxyphenyl)methyl]propanamide?
The InChIKey is UFTYTJFCMPXPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-23-17-4-2-3-15(11-17)13-21-19(22)8-6-14-5-7-16-9-10-20-18(16)12-14/h2-5,7,9-12,20H,6,8,13H2,1H3,(H,21,22).
What are the key properties of 3-(1H-indol-6-yl)-N-[(3-methoxyphenyl)methyl]propanamide?
3-(1H-indol-6-yl)-N-[(3-methoxyphenyl)methyl]propanamide has a molecular weight of 308.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-6-yl)-N-[(3-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 71840754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).