ethyl 2-[3,3-bis(4-methoxyphenyl)prop-2-enoylamino]acetate

C21H23NO5 — CID 57250494

IUPACethyl 2-[3,3-bis(4-methoxyphenyl)prop-2-enoylamino]acetate
SMILESCCOC(=O)CNC(=O)C=C(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C21H23NO5/c1-4-27-21(24)14-22-20(23)13-19(15-5-9-17(25-2)10-6-15)16-7-11-18(26-3)12-8-16/h5-13H,4,14H2,1-3H3,(H,22,23)
InChIKeySHNOHIVAGIHFSD-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.81
Rot. Bonds8

About ethyl 2-[3,3-bis(4-methoxyphenyl)prop-2-enoylamino]acetate

ethyl 2-[3,3-bis(4-methoxyphenyl)prop-2-enoylamino]acetate (PubChem CID 57250494) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is ethyl 2-[3,3-bis(4-methoxyphenyl)prop-2-enoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[3,3-bis(4-methoxyphenyl)prop-2-enoylamino]acetate
PubChem CID57250494
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Nameethyl 2-[3,3-bis(4-methoxyphenyl)prop-2-enoylamino]acetate
SMILESCCOC(=O)CNC(=O)C=C(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C21H23NO5/c1-4-27-21(24)14-22-20(23)13-19(15-5-9-17(25-2)10-6-15)16-7-11-18(26-3)12-8-16/h5-13H,4,14H2,1-3H3,(H,22,23)
InChIKeySHNOHIVAGIHFSD-UHFFFAOYSA-N
XLogP2.81
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5,5-bis(4-methoxyphenyl)-3-oxopent-4-enoate
CID 13200807
N-[2-(diethylamino)ethyl]-3,3-bis(4-methoxyphenyl)prop-2-enamide
CID 139646624
ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]acetate
CID 47257620
ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 85223132
ethyl (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 10967969
ethyl 3,4-bis(4-methoxyphenyl)but-3-enoate
CID 67000278
(E)-3-ethoxy-3-methoxy-1-(4-methoxyphenyl)prop-2-en-1-one
CID 59487970
ethyl 2-[1-(4-methoxyphenyl)propylamino]acetate
CID 60680894
ethyl 3-(4-methoxyphenyl)-3-oxopropanoate;1-(4-methoxyphenyl)ethanone
CID 158865973
methyl 5,5-bis(4-methoxyphenyl)pent-4-enoate
CID 86169370
ethyl 2-(4-methoxybenzoyl)sulfanylacetate
CID 175225578
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3,3-bis(4-methoxyphenyl)prop-2-enoylamino]acetate?
The IUPAC name of ethyl 2-[3,3-bis(4-methoxyphenyl)prop-2-enoylamino]acetate (CID 57250494) is ethyl 2-[3,3-bis(4-methoxyphenyl)prop-2-enoylamino]acetate.
What is the SMILES notation for ethyl 2-[3,3-bis(4-methoxyphenyl)prop-2-enoylamino]acetate?
The canonical SMILES for ethyl 2-[3,3-bis(4-methoxyphenyl)prop-2-enoylamino]acetate is CCOC(=O)CNC(=O)C=C(c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[3,3-bis(4-methoxyphenyl)prop-2-enoylamino]acetate?
The InChIKey is SHNOHIVAGIHFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-4-27-21(24)14-22-20(23)13-19(15-5-9-17(25-2)10-6-15)16-7-11-18(26-3)12-8-16/h5-13H,4,14H2,1-3H3,(H,22,23).
What are the key properties of ethyl 2-[3,3-bis(4-methoxyphenyl)prop-2-enoylamino]acetate?
ethyl 2-[3,3-bis(4-methoxyphenyl)prop-2-enoylamino]acetate has a molecular weight of 369.42 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3,3-bis(4-methoxyphenyl)prop-2-enoylamino]acetate is sourced from PubChem (CID 57250494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).