(E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2-methoxyphenyl)-2-phenylprop-2-enamide

C26H26N2O4 — CID 33259271

IUPAC(E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2-methoxyphenyl)-2-phenylprop-2-enamide
SMILESCOc1ccccc1/C=C(/C(=O)Nc1ccc(OCC(=O)N(C)C)cc1)c1ccccc1
InChIInChI=1S/C26H26N2O4/c1-28(2)25(29)18-32-22-15-13-21(14-16-22)27-26(30)23(19-9-5-4-6-10-19)17-20-11-7-8-12-24(20)31-3/h4-17H,18H2,1-3H3,(H,27,30)/b23-17+
InChIKeyISRBNJMTIVSJKD-HAVVHWLPSA-N
MW430.50 g/mol
LogP4.34
Rot. Bonds8

About (E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2-methoxyphenyl)-2-phenylprop-2-enamide

(E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2-methoxyphenyl)-2-phenylprop-2-enamide (PubChem CID 33259271) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is (E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2-methoxyphenyl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2-methoxyphenyl)-2-phenylprop-2-enamide
PubChem CID33259271
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name(E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2-methoxyphenyl)-2-phenylprop-2-enamide
SMILESCOc1ccccc1/C=C(/C(=O)Nc1ccc(OCC(=O)N(C)C)cc1)c1ccccc1
InChIInChI=1S/C26H26N2O4/c1-28(2)25(29)18-32-22-15-13-21(14-16-22)27-26(30)23(19-9-5-4-6-10-19)17-20-11-7-8-12-24(20)31-3/h4-17H,18H2,1-3H3,(H,27,30)/b23-17+
InChIKeyISRBNJMTIVSJKD-HAVVHWLPSA-N
XLogP4.34
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316446
[2-(4-methoxyanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 7448232
(E)-3-(2-chlorophenyl)-N-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1334364
N'-[3-[[3-(2-methoxyphenyl)-2-phenylprop-2-enoyl]amino]phenyl]oxamide
CID 126797593
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 31143401
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-methoxybenzamide
CID 32943268
N-[(Z)-3-(4-methoxyanilino)-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 2189845
2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-methoxyphenyl)benzamide
CID 34815754
(E)-2,3-diphenyl-N-(4-phenylmethoxyphenyl)prop-2-enamide
CID 6534022
(E)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316041
(Z)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316043
(E)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 126180329

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2-methoxyphenyl)-2-phenylprop-2-enamide?
The IUPAC name of (E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2-methoxyphenyl)-2-phenylprop-2-enamide (CID 33259271) is (E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2-methoxyphenyl)-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2-methoxyphenyl)-2-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2-methoxyphenyl)-2-phenylprop-2-enamide is COc1ccccc1/C=C(/C(=O)Nc1ccc(OCC(=O)N(C)C)cc1)c1ccccc1.
What is the InChIKey of (E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2-methoxyphenyl)-2-phenylprop-2-enamide?
The InChIKey is ISRBNJMTIVSJKD-HAVVHWLPSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-28(2)25(29)18-32-22-15-13-21(14-16-22)27-26(30)23(19-9-5-4-6-10-19)17-20-11-7-8-12-24(20)31-3/h4-17H,18H2,1-3H3,(H,27,30)/b23-17+.
What are the key properties of (E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2-methoxyphenyl)-2-phenylprop-2-enamide?
(E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2-methoxyphenyl)-2-phenylprop-2-enamide has a molecular weight of 430.50 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2-methoxyphenyl)-2-phenylprop-2-enamide is sourced from PubChem (CID 33259271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).