ethyl (Z)-2-formamido-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-enoate

C20H21NO5 — CID 5368608

IUPACethyl (Z)-2-formamido-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
SMILESCCOC(=O)/C(=C/c1ccc(OCc2ccccc2)cc1OC)NC=O
InChIInChI=1S/C20H21NO5/c1-3-25-20(23)18(21-14-22)11-16-9-10-17(12-19(16)24-2)26-13-15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3,(H,21,22)/b18-11-
InChIKeyGTVFZUCZGXTBPZ-WQRHYEAKSA-N
MW355.39 g/mol
LogP2.92
Rot. Bonds9

About ethyl (Z)-2-formamido-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-enoate

ethyl (Z)-2-formamido-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-enoate (PubChem CID 5368608) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is ethyl (Z)-2-formamido-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-formamido-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
PubChem CID5368608
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Nameethyl (Z)-2-formamido-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
SMILESCCOC(=O)/C(=C/c1ccc(OCc2ccccc2)cc1OC)NC=O
InChIInChI=1S/C20H21NO5/c1-3-25-20(23)18(21-14-22)11-16-9-10-17(12-19(16)24-2)26-13-15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3,(H,21,22)/b18-11-
InChIKeyGTVFZUCZGXTBPZ-WQRHYEAKSA-N
XLogP2.92
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (Z)-2-ethoxy-3-(2-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 68616308
ethyl 2-methoxy-4-phenylmethoxybenzoate
CID 162133718
ethyl 3-(3,4-dimethoxyphenyl)-2-formamidoprop-2-enoate
CID 85438887
ethyl 3-(2-chlorophenyl)-2-formamidoprop-2-enoate
CID 74935582
(E)-3-(2-methoxy-5-phenylmethoxyphenyl)prop-2-enoic acid
CID 11414899
ethyl 2-(3-phenylmethoxyphenyl)prop-2-enoate
CID 69253409
(2-methoxy-4-phenylmethoxyphenyl)methylcarbamic acid
CID 68757706
1-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824
3-(4-ethoxy-2-phenylmethoxyphenyl)-1-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826426
benzyl (Z)-3-(3-fluoro-2-phenylmethoxyphenyl)-2-formamidoprop-2-enoate;2-methoxy-2-methylpropane
CID 143062392
2-methoxy-4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]benzaldehyde
CID 123326670
1-(4-ethoxy-2-methoxyphenyl)-3-(2-hydroxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826653

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-formamido-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-enoate?
The IUPAC name of ethyl (Z)-2-formamido-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-enoate (CID 5368608) is ethyl (Z)-2-formamido-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-formamido-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-2-formamido-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-enoate is CCOC(=O)/C(=C/c1ccc(OCc2ccccc2)cc1OC)NC=O.
What is the InChIKey of ethyl (Z)-2-formamido-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-enoate?
The InChIKey is GTVFZUCZGXTBPZ-WQRHYEAKSA-N. The full InChI is InChI=1S/C20H21NO5/c1-3-25-20(23)18(21-14-22)11-16-9-10-17(12-19(16)24-2)26-13-15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3,(H,21,22)/b18-11-.
What are the key properties of ethyl (Z)-2-formamido-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-enoate?
ethyl (Z)-2-formamido-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-enoate has a molecular weight of 355.39 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-formamido-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 5368608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).