(E)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-phenylprop-2-enamide

C19H21NO4 — CID 93475859

IUPAC(E)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-phenylprop-2-enamide
SMILESCOc1ccc([C@H](O)CNC(=O)/C=C/c2ccccc2)cc1OC
InChIInChI=1S/C19H21NO4/c1-23-17-10-9-15(12-18(17)24-2)16(21)13-20-19(22)11-8-14-6-4-3-5-7-14/h3-12,16,21H,13H2,1-2H3,(H,20,22)/b11-8+/t16-/m1/s1
InChIKeyWGKQCEVFQJZYNY-YCABEKBOSA-N
MW327.38 g/mol
LogP2.57
Rot. Bonds7

About (E)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-phenylprop-2-enamide

(E)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-phenylprop-2-enamide (PubChem CID 93475859) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (E)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-phenylprop-2-enamide
PubChem CID93475859
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(E)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-phenylprop-2-enamide
SMILESCOc1ccc([C@H](O)CNC(=O)/C=C/c2ccccc2)cc1OC
InChIInChI=1S/C19H21NO4/c1-23-17-10-9-15(12-18(17)24-2)16(21)13-20-19(22)11-8-14-6-4-3-5-7-14/h3-12,16,21H,13H2,1-2H3,(H,20,22)/b11-8+/t16-/m1/s1
InChIKeyWGKQCEVFQJZYNY-YCABEKBOSA-N
XLogP2.57
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.57
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-phenylprop-2-enamide (CID 93475859) is (E)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-phenylprop-2-enamide is COc1ccc([C@H](O)CNC(=O)/C=C/c2ccccc2)cc1OC.
What is the InChIKey of (E)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-phenylprop-2-enamide?
The InChIKey is WGKQCEVFQJZYNY-YCABEKBOSA-N. The full InChI is InChI=1S/C19H21NO4/c1-23-17-10-9-15(12-18(17)24-2)16(21)13-20-19(22)11-8-14-6-4-3-5-7-14/h3-12,16,21H,13H2,1-2H3,(H,20,22)/b11-8+/t16-/m1/s1.
What are the key properties of (E)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-phenylprop-2-enamide?
(E)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-phenylprop-2-enamide has a molecular weight of 327.38 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 93475859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).