(E)-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-methyl-3-phenylprop-2-enamide

C22H28N2O3 — CID 110302846

IUPAC(E)-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-methyl-3-phenylprop-2-enamide
SMILESCOc1ccc(C(CNC(=O)/C(C)=C/c2ccccc2)N(C)C)cc1OC
InChIInChI=1S/C22H28N2O3/c1-16(13-17-9-7-6-8-10-17)22(25)23-15-19(24(2)3)18-11-12-20(26-4)21(14-18)27-5/h6-14,19H,15H2,1-5H3,(H,23,25)/b16-13+
InChIKeyQXSJCTFDEDCRHO-DTQAZKPQSA-N
MW368.48 g/mol
LogP3.53
Rot. Bonds8

About (E)-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-methyl-3-phenylprop-2-enamide

(E)-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-methyl-3-phenylprop-2-enamide (PubChem CID 110302846) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is (E)-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-methyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-methyl-3-phenylprop-2-enamide
PubChem CID110302846
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name(E)-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-methyl-3-phenylprop-2-enamide
SMILESCOc1ccc(C(CNC(=O)/C(C)=C/c2ccccc2)N(C)C)cc1OC
InChIInChI=1S/C22H28N2O3/c1-16(13-17-9-7-6-8-10-17)22(25)23-15-19(24(2)3)18-11-12-20(26-4)21(14-18)27-5/h6-14,19H,15H2,1-5H3,(H,23,25)/b16-13+
InChIKeyQXSJCTFDEDCRHO-DTQAZKPQSA-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

(E)-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2-methylprop-2-enamide
CID 110302847
(E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide
CID 110298595
N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 2998274
N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-3-phenoxypropanamide
CID 112504169
N-[(2-methoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide
CID 4672170
N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-4-(4-methylphenyl)butanamide
CID 110302842
(E)-N-[2-(dimethylamino)-2-phenylethyl]-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 55339283
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
CID 108507825
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 99903169
2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-6-fluorobenzamide
CID 45001704
(E)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-2-methyl-3-phenylprop-2-enamide
CID 162745291
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 3564631

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-methyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-methyl-3-phenylprop-2-enamide (CID 110302846) is (E)-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-methyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-methyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-methyl-3-phenylprop-2-enamide is COc1ccc(C(CNC(=O)/C(C)=C/c2ccccc2)N(C)C)cc1OC.
What is the InChIKey of (E)-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-methyl-3-phenylprop-2-enamide?
The InChIKey is QXSJCTFDEDCRHO-DTQAZKPQSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-16(13-17-9-7-6-8-10-17)22(25)23-15-19(24(2)3)18-11-12-20(26-4)21(14-18)27-5/h6-14,19H,15H2,1-5H3,(H,23,25)/b16-13+.
What are the key properties of (E)-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-methyl-3-phenylprop-2-enamide?
(E)-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-methyl-3-phenylprop-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-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-methyl-3-phenylprop-2-enamide is sourced from PubChem (CID 110302846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).