methyl 3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindole-3-carbonyl]benzoate

C35H32N2O5 — CID 10650511

IUPACmethyl 3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindole-3-carbonyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)c2cn(CC(=O)N(C)CCc3ccccc3)c3ccc(OCc4ccccc4)cc23)c1
InChIInChI=1S/C35H32N2O5/c1-36(19-18-25-10-5-3-6-11-25)33(38)23-37-22-31(34(39)27-14-9-15-28(20-27)35(40)41-2)30-21-29(16-17-32(30)37)42-24-26-12-7-4-8-13-26/h3-17,20-22H,18-19,23-24H2,1-2H3
InChIKeyRXAUVWQDJIJPOD-UHFFFAOYSA-N
MW560.65 g/mol
LogP5.94
Rot. Bonds11

About methyl 3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindole-3-carbonyl]benzoate

methyl 3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindole-3-carbonyl]benzoate (PubChem CID 10650511) has the molecular formula C35H32N2O5 and a molecular weight of 560.65 g/mol. Its IUPAC name is methyl 3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindole-3-carbonyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindole-3-carbonyl]benzoate
PubChem CID10650511
Molecular FormulaC35H32N2O5
Molecular Weight560.65 g/mol
Exact Mass560.23
IUPAC Namemethyl 3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindole-3-carbonyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)c2cn(CC(=O)N(C)CCc3ccccc3)c3ccc(OCc4ccccc4)cc23)c1
InChIInChI=1S/C35H32N2O5/c1-36(19-18-25-10-5-3-6-11-25)33(38)23-37-22-31(34(39)27-14-9-15-28(20-27)35(40)41-2)30-21-29(16-17-32(30)37)42-24-26-12-7-4-8-13-26/h3-17,20-22H,18-19,23-24H2,1-2H3
InChIKeyRXAUVWQDJIJPOD-UHFFFAOYSA-N
XLogP5.94
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.65
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindole-3-carbonyl]benzoate with MolForge

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Related Compounds

2-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]acetic acid
CID 11798055
methyl 3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]propanoate
CID 19372238
(E)-3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]prop-2-enoic acid
CID 10814139
2-[[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]methylidene]butanoic acid
CID 54097807
3-[1-[2-[2-(4-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]propanoic acid
CID 19372260
ethyl (Z)-2-methyl-3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]prop-2-enoate
CID 19372330
3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-6-phenylmethoxyindol-3-yl]propanoic acid
CID 19372228
3-[5-[2-[methyl(2-phenylethyl)amino]-2-oxoethoxy]-1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]indol-3-yl]propanoic acid
CID 54082208
1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-4-phenylmethoxyindole-3-carboxylic acid
CID 10503348
methyl 3-[2-(4-phenylmethoxyphenyl)ethyl]benzoate
CID 175245532
2-(3-formyl-4-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide
CID 10741107
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindole-3-carbonyl]benzoate?
The IUPAC name of methyl 3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindole-3-carbonyl]benzoate (CID 10650511) is methyl 3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindole-3-carbonyl]benzoate.
What is the SMILES notation for methyl 3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindole-3-carbonyl]benzoate?
The canonical SMILES for methyl 3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindole-3-carbonyl]benzoate is COC(=O)c1cccc(C(=O)c2cn(CC(=O)N(C)CCc3ccccc3)c3ccc(OCc4ccccc4)cc23)c1.
What is the InChIKey of methyl 3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindole-3-carbonyl]benzoate?
The InChIKey is RXAUVWQDJIJPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N2O5/c1-36(19-18-25-10-5-3-6-11-25)33(38)23-37-22-31(34(39)27-14-9-15-28(20-27)35(40)41-2)30-21-29(16-17-32(30)37)42-24-26-12-7-4-8-13-26/h3-17,20-22H,18-19,23-24H2,1-2H3.
What are the key properties of methyl 3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindole-3-carbonyl]benzoate?
methyl 3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindole-3-carbonyl]benzoate has a molecular weight of 560.65 g/mol, XLogP of 5.94, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindole-3-carbonyl]benzoate is sourced from PubChem (CID 10650511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).