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

C21H26N2O2 — CID 46798301

IUPAC(E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide
SMILESCOc1ccc(C(CNC(=O)/C=C/c2cccc(C)c2)N(C)C)cc1
InChIInChI=1S/C21H26N2O2/c1-16-6-5-7-17(14-16)8-13-21(24)22-15-20(23(2)3)18-9-11-19(25-4)12-10-18/h5-14,20H,15H2,1-4H3,(H,22,24)/b13-8+
InChIKeyDHBIHBMLJFGTHN-MDWZMJQESA-N
MW338.45 g/mol
LogP3.44
Rot. Bonds7

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

(E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide (PubChem CID 46798301) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide
PubChem CID46798301
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide
SMILESCOc1ccc(C(CNC(=O)/C=C/c2cccc(C)c2)N(C)C)cc1
InChIInChI=1S/C21H26N2O2/c1-16-6-5-7-17(14-16)8-13-21(24)22-15-20(23(2)3)18-9-11-19(25-4)12-10-18/h5-14,20H,15H2,1-4H3,(H,22,24)/b13-8+
InChIKeyDHBIHBMLJFGTHN-MDWZMJQESA-N
XLogP3.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 11267400
(Z)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 98439360
(E)-3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]prop-2-enamide
CID 43072507
(E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)but-2-enamide
CID 110302061
(E)-N-[2-(dimethylamino)-2-phenylethyl]-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 55339283
(E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enamide
CID 24503279
(E)-3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]prop-2-enamide
CID 18169474
N-(3-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 77055664
(E)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide
CID 51931070
(E)-3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 7772448
methyl 3-[[(Z)-3-(3-methylphenyl)prop-2-enoyl]amino]propanoate
CID 96561918
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 41318325

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide (CID 46798301) is (E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide is COc1ccc(C(CNC(=O)/C=C/c2cccc(C)c2)N(C)C)cc1.
What is the InChIKey of (E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide?
The InChIKey is DHBIHBMLJFGTHN-MDWZMJQESA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-6-5-7-17(14-16)8-13-21(24)22-15-20(23(2)3)18-9-11-19(25-4)12-10-18/h5-14,20H,15H2,1-4H3,(H,22,24)/b13-8+.
What are the key properties of (E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide?
(E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide has a molecular weight of 338.45 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide is sourced from PubChem (CID 46798301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).