(E)-3-(4-acetamidophenyl)-N-[(2,3-dimethoxyphenyl)methyl]prop-2-enamide

C20H22N2O4 — CID 46590717

IUPAC(E)-3-(4-acetamidophenyl)-N-[(2,3-dimethoxyphenyl)methyl]prop-2-enamide
SMILESCOc1cccc(CNC(=O)/C=C/c2ccc(NC(C)=O)cc2)c1OC
InChIInChI=1S/C20H22N2O4/c1-14(23)22-17-10-7-15(8-11-17)9-12-19(24)21-13-16-5-4-6-18(25-2)20(16)26-3/h4-12H,13H2,1-3H3,(H,21,24)(H,22,23)/b12-9+
InChIKeyQYRGBDBIZVFOPX-FMIVXFBMSA-N
MW354.41 g/mol
LogP2.99
Rot. Bonds7

About (E)-3-(4-acetamidophenyl)-N-[(2,3-dimethoxyphenyl)methyl]prop-2-enamide

(E)-3-(4-acetamidophenyl)-N-[(2,3-dimethoxyphenyl)methyl]prop-2-enamide (PubChem CID 46590717) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is (E)-3-(4-acetamidophenyl)-N-[(2,3-dimethoxyphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-acetamidophenyl)-N-[(2,3-dimethoxyphenyl)methyl]prop-2-enamide
PubChem CID46590717
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name(E)-3-(4-acetamidophenyl)-N-[(2,3-dimethoxyphenyl)methyl]prop-2-enamide
SMILESCOc1cccc(CNC(=O)/C=C/c2ccc(NC(C)=O)cc2)c1OC
InChIInChI=1S/C20H22N2O4/c1-14(23)22-17-10-7-15(8-11-17)9-12-19(24)21-13-16-5-4-6-18(25-2)20(16)26-3/h4-12H,13H2,1-3H3,(H,21,24)(H,22,23)/b12-9+
InChIKeyQYRGBDBIZVFOPX-FMIVXFBMSA-N
XLogP2.99
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.99
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

(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[(2,3-dimethoxyphenyl)methyl]prop-2-enamide
CID 55594874
(E)-N-[2-(2,3-dimethoxyphenyl)ethyl]-3-phenylprop-2-enamide
CID 155112281
(E)-N-(4-acetamidophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 7945153
3-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 4796977
(E)-3-(3-aminophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 115342604
(E)-3-(4-acetamidophenyl)-N-(2-methoxyethyl)prop-2-enamide
CID 51339871
(E)-N-(4-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 6212261
(E)-3-(4-acetamidophenyl)-N-[(3-chlorophenyl)methyl]prop-2-enamide
CID 51333626
(E)-3-(4-acetamidophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 31254061
(E)-3-[4-(difluoromethoxy)phenyl]-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 18075413
N-[(2-methoxyphenyl)methyl]-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 74509472
(E)-N-[(4-acetamidophenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 32859165

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-acetamidophenyl)-N-[(2,3-dimethoxyphenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-acetamidophenyl)-N-[(2,3-dimethoxyphenyl)methyl]prop-2-enamide (CID 46590717) is (E)-3-(4-acetamidophenyl)-N-[(2,3-dimethoxyphenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-acetamidophenyl)-N-[(2,3-dimethoxyphenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-acetamidophenyl)-N-[(2,3-dimethoxyphenyl)methyl]prop-2-enamide is COc1cccc(CNC(=O)/C=C/c2ccc(NC(C)=O)cc2)c1OC.
What is the InChIKey of (E)-3-(4-acetamidophenyl)-N-[(2,3-dimethoxyphenyl)methyl]prop-2-enamide?
The InChIKey is QYRGBDBIZVFOPX-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14(23)22-17-10-7-15(8-11-17)9-12-19(24)21-13-16-5-4-6-18(25-2)20(16)26-3/h4-12H,13H2,1-3H3,(H,21,24)(H,22,23)/b12-9+.
What are the key properties of (E)-3-(4-acetamidophenyl)-N-[(2,3-dimethoxyphenyl)methyl]prop-2-enamide?
(E)-3-(4-acetamidophenyl)-N-[(2,3-dimethoxyphenyl)methyl]prop-2-enamide has a molecular weight of 354.41 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-acetamidophenyl)-N-[(2,3-dimethoxyphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 46590717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).