3-(1H-indol-6-yl)-3-(2-methoxyphenyl)-N-methylpropanamide;3-(1H-indol-6-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine;methyl 3-(1H-indol-6-yl)-3-(2-methoxyphenyl)propanoate

C57H61N5O6 — CID 157281981

IUPAC3-(1H-indol-6-yl)-3-(2-methoxyphenyl)-N-methylpropanamide;3-(1H-indol-6-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine;methyl 3-(1H-indol-6-yl)-3-(2-methoxyphenyl)propanoate
SMILESCNC(=O)CC(c1ccc2cc[nH]c2c1)c1ccccc1OC.CNCCC(c1ccc2cc[nH]c2c1)c1ccccc1OC.COC(=O)CC(c1ccc2cc[nH]c2c1)c1ccccc1OC
InChIInChI=1S/C19H20N2O2.C19H22N2O.C19H19NO3/c1-20-19(22)12-16(15-5-3-4-6-18(15)23-2)14-8-7-13-9-10-21-17(13)11-14;1-20-11-10-16(17-5-3-4-6-19(17)22-2)15-8-7-14-9-12-21-18(14)13-15;1-22-18-6-4-3-5-15(18)16(12-19(21)23-2)14-8-7-13-9-10-20-17(13)11-14/h3-11,16,21H,12H2,1-2H3,(H,20,22);3-9,12-13,16,20-21H,10-11H2,1-2H3;3-11,16,20H,12H2,1-2H3
InChIKeyAZTRNVZDXYHFRQ-UHFFFAOYSA-N
MW912.14 g/mol
LogP11.23
Rot. Bonds16

About 3-(1H-indol-6-yl)-3-(2-methoxyphenyl)-N-methylpropanamide;3-(1H-indol-6-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine;methyl 3-(1H-indol-6-yl)-3-(2-methoxyphenyl)propanoate

3-(1H-indol-6-yl)-3-(2-methoxyphenyl)-N-methylpropanamide;3-(1H-indol-6-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine;methyl 3-(1H-indol-6-yl)-3-(2-methoxyphenyl)propanoate (PubChem CID 157281981) has the molecular formula C57H61N5O6 and a molecular weight of 912.14 g/mol. Its IUPAC name is 3-(1H-indol-6-yl)-3-(2-methoxyphenyl)-N-methylpropanamide;3-(1H-indol-6-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine;methyl 3-(1H-indol-6-yl)-3-(2-methoxyphenyl)propanoate.

Molecular Properties

Compound Name3-(1H-indol-6-yl)-3-(2-methoxyphenyl)-N-methylpropanamide;3-(1H-indol-6-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine;methyl 3-(1H-indol-6-yl)-3-(2-methoxyphenyl)propanoate
PubChem CID157281981
Molecular FormulaC57H61N5O6
Molecular Weight912.14 g/mol
Exact Mass911.46
IUPAC Name3-(1H-indol-6-yl)-3-(2-methoxyphenyl)-N-methylpropanamide;3-(1H-indol-6-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine;methyl 3-(1H-indol-6-yl)-3-(2-methoxyphenyl)propanoate
SMILESCNC(=O)CC(c1ccc2cc[nH]c2c1)c1ccccc1OC.CNCCC(c1ccc2cc[nH]c2c1)c1ccccc1OC.COC(=O)CC(c1ccc2cc[nH]c2c1)c1ccccc1OC
InChIInChI=1S/C19H20N2O2.C19H22N2O.C19H19NO3/c1-20-19(22)12-16(15-5-3-4-6-18(15)23-2)14-8-7-13-9-10-21-17(13)11-14;1-20-11-10-16(17-5-3-4-6-19(17)22-2)15-8-7-14-9-12-21-18(14)13-15;1-22-18-6-4-3-5-15(18)16(12-19(21)23-2)14-8-7-13-9-10-20-17(13)11-14/h3-11,16,21H,12H2,1-2H3,(H,20,22);3-9,12-13,16,20-21H,10-11H2,1-2H3;3-11,16,20H,12H2,1-2H3
InChIKeyAZTRNVZDXYHFRQ-UHFFFAOYSA-N
XLogP11.23
TPSA142.49 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.14
LogP ≤ 511.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 44424025
N-(2-methoxycinnamyl)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)-4-(1H-indol-3-yl)butanamide
CID 44434713
3,3-bis(4-methoxy-1H-indol-3-yl)-1H-indol-2-one
CID 46934429
3-(1H-indol-3-yl)-3-(2-methoxyphenyl)-N-(2-phenylethyl)propanamide
CID 45961148
(3S,4S)-1-[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]-3-N,4-N-bis[2-(1H-indol-3-yl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 56683733
3-[[2-[2-[bis(1H-indol-3-yl)methyl]phenoxy]phenyl]-(1H-indol-3-yl)methyl]-1H-indole
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3-[[4-[bis(5-methoxy-1H-indol-3-yl)methyl]phenyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
CID 57326788
2-[[2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]-3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 19064442
(2R)-2-[[2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]-3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 140392074
3-(1H-indol-3-yl)-2-[[2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 19064432
3-[[5-[[3-[bis(1H-indol-3-yl)methyl]-4-methoxyphenyl]methyl]-2-methoxyphenyl]-(1H-indol-3-yl)methyl]-1H-indole
CID 139225218

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-6-yl)-3-(2-methoxyphenyl)-N-methylpropanamide;3-(1H-indol-6-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine;methyl 3-(1H-indol-6-yl)-3-(2-methoxyphenyl)propanoate?
The IUPAC name of 3-(1H-indol-6-yl)-3-(2-methoxyphenyl)-N-methylpropanamide;3-(1H-indol-6-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine;methyl 3-(1H-indol-6-yl)-3-(2-methoxyphenyl)propanoate (CID 157281981) is 3-(1H-indol-6-yl)-3-(2-methoxyphenyl)-N-methylpropanamide;3-(1H-indol-6-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine;methyl 3-(1H-indol-6-yl)-3-(2-methoxyphenyl)propanoate.
What is the SMILES notation for 3-(1H-indol-6-yl)-3-(2-methoxyphenyl)-N-methylpropanamide;3-(1H-indol-6-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine;methyl 3-(1H-indol-6-yl)-3-(2-methoxyphenyl)propanoate?
The canonical SMILES for 3-(1H-indol-6-yl)-3-(2-methoxyphenyl)-N-methylpropanamide;3-(1H-indol-6-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine;methyl 3-(1H-indol-6-yl)-3-(2-methoxyphenyl)propanoate is CNC(=O)CC(c1ccc2cc[nH]c2c1)c1ccccc1OC.CNCCC(c1ccc2cc[nH]c2c1)c1ccccc1OC.COC(=O)CC(c1ccc2cc[nH]c2c1)c1ccccc1OC.
What is the InChIKey of 3-(1H-indol-6-yl)-3-(2-methoxyphenyl)-N-methylpropanamide;3-(1H-indol-6-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine;methyl 3-(1H-indol-6-yl)-3-(2-methoxyphenyl)propanoate?
The InChIKey is AZTRNVZDXYHFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2.C19H22N2O.C19H19NO3/c1-20-19(22)12-16(15-5-3-4-6-18(15)23-2)14-8-7-13-9-10-21-17(13)11-14;1-20-11-10-16(17-5-3-4-6-19(17)22-2)15-8-7-14-9-12-21-18(14)13-15;1-22-18-6-4-3-5-15(18)16(12-19(21)23-2)14-8-7-13-9-10-20-17(13)11-14/h3-11,16,21H,12H2,1-2H3,(H,20,22);3-9,12-13,16,20-21H,10-11H2,1-2H3;3-11,16,20H,12H2,1-2H3.
What are the key properties of 3-(1H-indol-6-yl)-3-(2-methoxyphenyl)-N-methylpropanamide;3-(1H-indol-6-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine;methyl 3-(1H-indol-6-yl)-3-(2-methoxyphenyl)propanoate?
3-(1H-indol-6-yl)-3-(2-methoxyphenyl)-N-methylpropanamide;3-(1H-indol-6-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine;methyl 3-(1H-indol-6-yl)-3-(2-methoxyphenyl)propanoate has a molecular weight of 912.14 g/mol, XLogP of 11.23, 16 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-6-yl)-3-(2-methoxyphenyl)-N-methylpropanamide;3-(1H-indol-6-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine;methyl 3-(1H-indol-6-yl)-3-(2-methoxyphenyl)propanoate is sourced from PubChem (CID 157281981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).