[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate

C22H25NO6 — CID 2393047

IUPAC[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
SMILESCOc1ccc(CCNC(=O)COC(=O)/C=C/c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C22H25NO6/c1-26-18-7-4-16(5-8-18)12-13-23-21(24)15-29-22(25)11-6-17-14-19(27-2)9-10-20(17)28-3/h4-11,14H,12-13,15H2,1-3H3,(H,23,24)/b11-6+
InChIKeyNESDKXGTMAWCEH-IZZDOVSWSA-N
MW399.44 g/mol
LogP2.63
Rot. Bonds10

About [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate (PubChem CID 2393047) has the molecular formula C22H25NO6 and a molecular weight of 399.44 g/mol. Its IUPAC name is [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
PubChem CID2393047
Molecular FormulaC22H25NO6
Molecular Weight399.44 g/mol
Exact Mass399.17
IUPAC Name[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
SMILESCOc1ccc(CCNC(=O)COC(=O)/C=C/c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C22H25NO6/c1-26-18-7-4-16(5-8-18)12-13-23-21(24)15-29-22(25)11-6-17-14-19(27-2)9-10-20(17)28-3/h4-11,14H,12-13,15H2,1-3H3,(H,23,24)/b11-6+
InChIKeyNESDKXGTMAWCEH-IZZDOVSWSA-N
XLogP2.63
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxybenzyl)-2-(4-methoxyphenoxy)acetamide
CID 748751
Syncarpamide
CID 11753871
2-(4-Methoxyphenoxy)-N-(2-phenylethyl)ethanimidic acid
CID 210238
2-(4-ethylphenoxy)-N-(2-phenylethyl)acetamide
CID 673837
N-[3-[5-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]propyl]propanamide
CID 46865422
N-(3-(5-methoxy-2-(3-methoxybenzyloxy)phenyl)propyl)acetamide
CID 46884553
N-(3-(2-(benzyloxy)-5-methoxyphenyl)propyl)acetamide
CID 46885226
N-(3-(2-(benzyloxy)-5-methoxyphenyl)propyl)propionamide
CID 46885227
2-[4-(2-methylpropyl)phenyl]-N-[2-(2-oxochromen-6-yl)oxyethyl]propanamide
CID 137658877
N-(2-Methoxy-benzyl)-2-p-tolyloxy-acetamide
CID 684085
2-[4-(benzyloxy)phenoxy]-N-ethylacetamide
CID 1257662
[2-[2-(4-Methoxyphenyl)ethylamino]-2-oxoethyl] cyclopropanecarboxylate
CID 2376869

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate?
The IUPAC name of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate (CID 2393047) is [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate.
What is the SMILES notation for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate?
The canonical SMILES for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate is COc1ccc(CCNC(=O)COC(=O)/C=C/c2cc(OC)ccc2OC)cc1.
What is the InChIKey of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate?
The InChIKey is NESDKXGTMAWCEH-IZZDOVSWSA-N. The full InChI is InChI=1S/C22H25NO6/c1-26-18-7-4-16(5-8-18)12-13-23-21(24)15-29-22(25)11-6-17-14-19(27-2)9-10-20(17)28-3/h4-11,14H,12-13,15H2,1-3H3,(H,23,24)/b11-6+.
What are the key properties of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate?
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate has a molecular weight of 399.44 g/mol, XLogP of 2.63, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 2393047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).