(E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)prop-2-enamide

C19H27NO3 — CID 60592337

IUPAC(E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)prop-2-enamide
SMILESC=C(C)CN(CC)C(=O)/C=C/c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C19H27NO3/c1-6-20(14-15(4)5)19(21)12-10-16-9-11-17(22-7-2)18(13-16)23-8-3/h9-13H,4,6-8,14H2,1-3,5H3/b12-10+
InChIKeyLFRAJQLJBPMTSW-ZRDIBKRKSA-N
MW317.43 g/mol
LogP3.92
Rot. Bonds9

About (E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)prop-2-enamide

(E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)prop-2-enamide (PubChem CID 60592337) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is (E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)prop-2-enamide
PubChem CID60592337
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name(E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)prop-2-enamide
SMILESC=C(C)CN(CC)C(=O)/C=C/c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C19H27NO3/c1-6-20(14-15(4)5)19(21)12-10-16-9-11-17(22-7-2)18(13-16)23-8-3/h9-13H,4,6-8,14H2,1-3,5H3/b12-10+
InChIKeyLFRAJQLJBPMTSW-ZRDIBKRKSA-N
XLogP3.92
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-diethoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 102603198
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 55310214
(E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 55373046
(E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]prop-2-enamide
CID 35605636
3-(4-ethoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide
CID 719513
3-(3,4-diethoxyphenyl)prop-2-enamide
CID 75266278
3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 102603194
(Z)-N,N-bis(2-cyanoethyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 97435242
3-[3-ethoxy-4-(ethoxymethoxy)phenyl]prop-2-enoic acid
CID 77066570
3-(4-ethoxyphenyl)-N,N-diethylprop-2-enamide
CID 73010710
(E)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-3-(4-ethoxy-3-methoxyphenyl)-N-ethylprop-2-enamide
CID 24982975
(E)-3-[4-(2-bromoprop-2-enoxy)-3-ethoxyphenyl]prop-2-enoic acid
CID 60872249

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)prop-2-enamide?
The IUPAC name of (E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)prop-2-enamide (CID 60592337) is (E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)prop-2-enamide is C=C(C)CN(CC)C(=O)/C=C/c1ccc(OCC)c(OCC)c1.
What is the InChIKey of (E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)prop-2-enamide?
The InChIKey is LFRAJQLJBPMTSW-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H27NO3/c1-6-20(14-15(4)5)19(21)12-10-16-9-11-17(22-7-2)18(13-16)23-8-3/h9-13H,4,6-8,14H2,1-3,5H3/b12-10+.
What are the key properties of (E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)prop-2-enamide?
(E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)prop-2-enamide has a molecular weight of 317.43 g/mol, XLogP of 3.92, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)prop-2-enamide is sourced from PubChem (CID 60592337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).