ethyl (Z)-2-methyl-3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]prop-2-enoate

C32H34N2O4 — CID 19372330

IUPACethyl (Z)-2-methyl-3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]prop-2-enoate
SMILESCCOC(=O)/C(C)=C\c1cn(CC(=O)N(C)CCc2ccccc2)c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C32H34N2O4/c1-4-37-32(36)24(2)19-27-21-34(22-31(35)33(3)18-17-25-11-7-5-8-12-25)30-16-15-28(20-29(27)30)38-23-26-13-9-6-10-14-26/h5-16,19-21H,4,17-18,22-23H2,1-3H3/b24-19-
InChIKeyYUVYCTDNDHEIOK-CLCOLTQESA-N
MW510.63 g/mol
LogP5.89
Rot. Bonds11

About ethyl (Z)-2-methyl-3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]prop-2-enoate

ethyl (Z)-2-methyl-3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]prop-2-enoate (PubChem CID 19372330) has the molecular formula C32H34N2O4 and a molecular weight of 510.63 g/mol. Its IUPAC name is ethyl (Z)-2-methyl-3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-methyl-3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]prop-2-enoate
PubChem CID19372330
Molecular FormulaC32H34N2O4
Molecular Weight510.63 g/mol
Exact Mass510.25
IUPAC Nameethyl (Z)-2-methyl-3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]prop-2-enoate
SMILESCCOC(=O)/C(C)=C\c1cn(CC(=O)N(C)CCc2ccccc2)c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C32H34N2O4/c1-4-37-32(36)24(2)19-27-21-34(22-31(35)33(3)18-17-25-11-7-5-8-12-25)30-16-15-28(20-29(27)30)38-23-26-13-9-6-10-14-26/h5-16,19-21H,4,17-18,22-23H2,1-3H3/b24-19-
InChIKeyYUVYCTDNDHEIOK-CLCOLTQESA-N
XLogP5.89
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.63
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (Z)-2-methyl-3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]prop-2-enoate with MolForge

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Related Compounds

2-[[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]methylidene]butanoic acid
CID 54097807
(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]acetic acid
CID 11798055
methyl 3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]propanoate
CID 19372238
methyl 3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindole-3-carbonyl]benzoate
CID 10650511
3-[1-[2-[2-(4-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]propanoic acid
CID 19372260
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
2-(3-formyl-4-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide
CID 10741107
[4-(hydroxymethyl)-9-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-6-phenylmethoxypyrido[3,4-b]indol-3-yl] N,N-dimethylcarbamate
CID 67696248
ethyl (E)-3-(1-methyl-5-phenylmethoxyindol-3-yl)prop-2-enoate
CID 11450484
1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-4-phenylmethoxyindole-3-carboxylic acid
CID 10503348

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-methyl-3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]prop-2-enoate?
The IUPAC name of ethyl (Z)-2-methyl-3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]prop-2-enoate (CID 19372330) is ethyl (Z)-2-methyl-3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]prop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-methyl-3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]prop-2-enoate?
The canonical SMILES for ethyl (Z)-2-methyl-3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]prop-2-enoate is CCOC(=O)/C(C)=C\c1cn(CC(=O)N(C)CCc2ccccc2)c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of ethyl (Z)-2-methyl-3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]prop-2-enoate?
The InChIKey is YUVYCTDNDHEIOK-CLCOLTQESA-N. The full InChI is InChI=1S/C32H34N2O4/c1-4-37-32(36)24(2)19-27-21-34(22-31(35)33(3)18-17-25-11-7-5-8-12-25)30-16-15-28(20-29(27)30)38-23-26-13-9-6-10-14-26/h5-16,19-21H,4,17-18,22-23H2,1-3H3/b24-19-.
What are the key properties of ethyl (Z)-2-methyl-3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]prop-2-enoate?
ethyl (Z)-2-methyl-3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]prop-2-enoate has a molecular weight of 510.63 g/mol, XLogP of 5.89, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-methyl-3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]prop-2-enoate is sourced from PubChem (CID 19372330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).