methyl (Z)-3-[5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylmethoxyphenyl]prop-2-enoate

C28H29NO4 — CID 10646909

IUPACmethyl (Z)-3-[5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylmethoxyphenyl]prop-2-enoate
SMILESCOC(=O)/C=C\c1cc(CC(=O)N(C)CCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C28H29NO4/c1-29(18-17-22-9-5-3-6-10-22)27(30)20-24-13-15-26(25(19-24)14-16-28(31)32-2)33-21-23-11-7-4-8-12-23/h3-16,19H,17-18,20-21H2,1-2H3/b16-14-
InChIKeyFHLSAFASNXEYKC-PEZBUJJGSA-N
MW443.54 g/mol
LogP4.70
Rot. Bonds10

About methyl (Z)-3-[5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylmethoxyphenyl]prop-2-enoate

methyl (Z)-3-[5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylmethoxyphenyl]prop-2-enoate (PubChem CID 10646909) has the molecular formula C28H29NO4 and a molecular weight of 443.54 g/mol. Its IUPAC name is methyl (Z)-3-[5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylmethoxyphenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-[5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylmethoxyphenyl]prop-2-enoate
PubChem CID10646909
Molecular FormulaC28H29NO4
Molecular Weight443.54 g/mol
Exact Mass443.21
IUPAC Namemethyl (Z)-3-[5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylmethoxyphenyl]prop-2-enoate
SMILESCOC(=O)/C=C\c1cc(CC(=O)N(C)CCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C28H29NO4/c1-29(18-17-22-9-5-3-6-10-22)27(30)20-24-13-15-26(25(19-24)14-16-28(31)32-2)33-21-23-11-7-4-8-12-23/h3-16,19H,17-18,20-21H2,1-2H3/b16-14-
InChIKeyFHLSAFASNXEYKC-PEZBUJJGSA-N
XLogP4.70
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[3-chloro-5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylmethoxyphenyl]prop-2-enoic acid
CID 19746259
3-[5-(carboxymethyl)-2-phenylmethoxyphenyl]prop-2-enoic acid
CID 57319289
N-methyl-2-[3-[2-[methyl(2-phenylethyl)amino]-2-oxoethoxy]-5-phenylmethoxyphenyl]-N-(2-phenylethyl)acetamide
CID 19746251
3-(5-ethoxy-2-phenylmethoxyphenyl)prop-2-enoic acid
CID 68884286
methyl (E)-3-(3-iodo-4-phenylmethoxyphenyl)prop-2-enoate
CID 91684493
2-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)acetamide
CID 62499017
methyl 3-[3-methoxy-4-[4-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]phenoxy]butoxy]phenyl]propanoate
CID 25198238
2-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylacetamide
CID 110287977
methyl (E)-3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 102535216
(E)-N,N-dimethyl-3-(2-phenylmethoxyphenyl)prop-2-enamide
CID 15255199
2-[3-(2-methoxynaphthalen-1-yl)phenyl]-N-methyl-N-(2-phenylethyl)acetamide
CID 10669237
methyl 3-(6-phenylmethoxynaphthalen-1-yl)prop-2-enoate
CID 91160431

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-[5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylmethoxyphenyl]prop-2-enoate?
The IUPAC name of methyl (Z)-3-[5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylmethoxyphenyl]prop-2-enoate (CID 10646909) is methyl (Z)-3-[5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylmethoxyphenyl]prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-[5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylmethoxyphenyl]prop-2-enoate?
The canonical SMILES for methyl (Z)-3-[5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylmethoxyphenyl]prop-2-enoate is COC(=O)/C=C\c1cc(CC(=O)N(C)CCc2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of methyl (Z)-3-[5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylmethoxyphenyl]prop-2-enoate?
The InChIKey is FHLSAFASNXEYKC-PEZBUJJGSA-N. The full InChI is InChI=1S/C28H29NO4/c1-29(18-17-22-9-5-3-6-10-22)27(30)20-24-13-15-26(25(19-24)14-16-28(31)32-2)33-21-23-11-7-4-8-12-23/h3-16,19H,17-18,20-21H2,1-2H3/b16-14-.
What are the key properties of methyl (Z)-3-[5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylmethoxyphenyl]prop-2-enoate?
methyl (Z)-3-[5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylmethoxyphenyl]prop-2-enoate has a molecular weight of 443.54 g/mol, XLogP of 4.70, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-[5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylmethoxyphenyl]prop-2-enoate is sourced from PubChem (CID 10646909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).