(E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)but-2-enamide

C22H28N2O3 — CID 110302061

IUPAC(E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)but-2-enamide
SMILESCOc1ccc(/C(C)=C/C(=O)NCC(c2ccc(OC)cc2)N(C)C)cc1
InChIInChI=1S/C22H28N2O3/c1-16(17-6-10-19(26-4)11-7-17)14-22(25)23-15-21(24(2)3)18-8-12-20(27-5)13-9-18/h6-14,21H,15H2,1-5H3,(H,23,25)/b16-14+
InChIKeyWHMCAYJBJWMHFA-JQIJEIRASA-N
MW368.48 g/mol
LogP3.53
Rot. Bonds8

About (E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)but-2-enamide

(E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)but-2-enamide (PubChem CID 110302061) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is (E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)but-2-enamide
PubChem CID110302061
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name(E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)but-2-enamide
SMILESCOc1ccc(/C(C)=C/C(=O)NCC(c2ccc(OC)cc2)N(C)C)cc1
InChIInChI=1S/C22H28N2O3/c1-16(17-6-10-19(26-4)11-7-17)14-22(25)23-15-21(24(2)3)18-8-12-20(27-5)13-9-18/h6-14,21H,15H2,1-5H3,(H,23,25)/b16-14+
InChIKeyWHMCAYJBJWMHFA-JQIJEIRASA-N
XLogP3.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxy-2-methylpentyl)-3-(4-methoxyphenyl)but-2-enamide
CID 111780107
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 45001600
(E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide
CID 46798301
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 3564631
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethylbenzamide
CID 7987402
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 2129227
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 43003305
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(2-phenylethynyl)benzamide
CID 43044722
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 40901223
N-[2-[[(E)-3-(4-methoxyphenyl)but-2-enoyl]amino]ethyl]benzamide
CID 110309408
1-cyclopropyl-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea
CID 112501881
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-hydroxybenzamide
CID 3951994

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)but-2-enamide?
The IUPAC name of (E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)but-2-enamide (CID 110302061) is (E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)but-2-enamide.
What is the SMILES notation for (E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)but-2-enamide?
The canonical SMILES for (E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)but-2-enamide is COc1ccc(/C(C)=C/C(=O)NCC(c2ccc(OC)cc2)N(C)C)cc1.
What is the InChIKey of (E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)but-2-enamide?
The InChIKey is WHMCAYJBJWMHFA-JQIJEIRASA-N. The full InChI is InChI=1S/C22H28N2O3/c1-16(17-6-10-19(26-4)11-7-17)14-22(25)23-15-21(24(2)3)18-8-12-20(27-5)13-9-18/h6-14,21H,15H2,1-5H3,(H,23,25)/b16-14+.
What are the key properties of (E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)but-2-enamide?
(E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)but-2-enamide has a molecular weight of 368.48 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)but-2-enamide is sourced from PubChem (CID 110302061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).