(E)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide

C20H22N2O4 — CID 55620260

IUPAC(E)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
SMILESCCOc1cc(/C=C/C(=O)Nc2ccc(CC(N)=O)cc2)ccc1OC
InChIInChI=1S/C20H22N2O4/c1-3-26-18-12-14(6-10-17(18)25-2)7-11-20(24)22-16-8-4-15(5-9-16)13-19(21)23/h4-12H,3,13H2,1-2H3,(H2,21,23)(H,22,24)/b11-7+
InChIKeyOPWXIEXREFRZGV-YRNVUSSQSA-N
MW354.41 g/mol
LogP2.77
Rot. Bonds8

About (E)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide

(E)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide (PubChem CID 55620260) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is (E)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
PubChem CID55620260
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name(E)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
SMILESCCOc1cc(/C=C/C(=O)Nc2ccc(CC(N)=O)cc2)ccc1OC
InChIInChI=1S/C20H22N2O4/c1-3-26-18-12-14(6-10-17(18)25-2)7-11-20(24)22-16-8-4-15(5-9-16)13-19(21)23/h4-12H,3,13H2,1-2H3,(H2,21,23)(H,22,24)/b11-7+
InChIKeyOPWXIEXREFRZGV-YRNVUSSQSA-N
XLogP2.77
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]phenyl]acetic acid
CID 45346201
4-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]benzamide
CID 719545
(E)-N-[4-(dimethylamino)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 78776552
(E)-N-(4-aminophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 28854464
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 26736528
3-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzamide
CID 51152920
(E)-N-(3-chloro-4-methoxyphenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 5449139
N-(4-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 732824
N-[4-(diethylamino)phenyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 5183385
N-[4-(dimethylamino)phenyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 5183388
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 39953622
ethyl 3-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 9228215

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide (CID 55620260) is (E)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide is CCOc1cc(/C=C/C(=O)Nc2ccc(CC(N)=O)cc2)ccc1OC.
What is the InChIKey of (E)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide?
The InChIKey is OPWXIEXREFRZGV-YRNVUSSQSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-26-18-12-14(6-10-17(18)25-2)7-11-20(24)22-16-8-4-15(5-9-16)13-19(21)23/h4-12H,3,13H2,1-2H3,(H2,21,23)(H,22,24)/b11-7+.
What are the key properties of (E)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide?
(E)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide has a molecular weight of 354.41 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 55620260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).