(E,5R)-N-(2-aminophenyl)-5-hydroxy-5-(3-hydroxy-4-methoxyphenyl)pent-2-enamide

C18H20N2O4 — CID 23948201

IUPAC(E,5R)-N-(2-aminophenyl)-5-hydroxy-5-(3-hydroxy-4-methoxyphenyl)pent-2-enamide
SMILESCOc1ccc([C@H](O)C/C=C/C(=O)Nc2ccccc2N)cc1O
InChIInChI=1S/C18H20N2O4/c1-24-17-10-9-12(11-16(17)22)15(21)7-4-8-18(23)20-14-6-3-2-5-13(14)19/h2-6,8-11,15,21-22H,7,19H2,1H3,(H,20,23)/b8-4+/t15-/m1/s1
InChIKeyPPFOXDYQIIXULX-SGJXGLNRSA-N
MW328.37 g/mol
LogP2.60
Rot. Bonds6

About (E,5R)-N-(2-aminophenyl)-5-hydroxy-5-(3-hydroxy-4-methoxyphenyl)pent-2-enamide

(E,5R)-N-(2-aminophenyl)-5-hydroxy-5-(3-hydroxy-4-methoxyphenyl)pent-2-enamide (PubChem CID 23948201) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is (E,5R)-N-(2-aminophenyl)-5-hydroxy-5-(3-hydroxy-4-methoxyphenyl)pent-2-enamide.

Molecular Properties

Compound Name(E,5R)-N-(2-aminophenyl)-5-hydroxy-5-(3-hydroxy-4-methoxyphenyl)pent-2-enamide
PubChem CID23948201
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name(E,5R)-N-(2-aminophenyl)-5-hydroxy-5-(3-hydroxy-4-methoxyphenyl)pent-2-enamide
SMILESCOc1ccc([C@H](O)C/C=C/C(=O)Nc2ccccc2N)cc1O
InChIInChI=1S/C18H20N2O4/c1-24-17-10-9-12(11-16(17)22)15(21)7-4-8-18(23)20-14-6-3-2-5-13(14)19/h2-6,8-11,15,21-22H,7,19H2,1H3,(H,20,23)/b8-4+/t15-/m1/s1
InChIKeyPPFOXDYQIIXULX-SGJXGLNRSA-N
XLogP2.60
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(E,1R,2R)-7-(2-aminoanilino)-1-(3-hydroxy-4-methoxyphenyl)-2-methyl-7-oxohept-5-enyl] N-benzoylcarbamate
CID 23948282
[(E,1R)-7-(2-aminoanilino)-1-(3-hydroxy-4-methoxyphenyl)-2,2-dimethyl-7-oxohept-5-enyl] N-benzoylcarbamate
CID 23892374
[(E,1S)-7-(2-aminoanilino)-1-(3-hydroxy-4-methoxyphenyl)-7-oxohept-5-enyl] N-(4-cyanophenyl)carbamate
CID 23864551
[(E,1S,2S)-5-(2-aminoanilino)-1-(3-hydroxy-4-methoxyphenyl)-2-methyl-5-oxopent-3-enyl] N-(4-acetylphenyl)carbamate
CID 23749536
[(E,1R,2R)-5-(2-aminoanilino)-1-(3-hydroxy-4-methoxyphenyl)-5-oxo-2-phenoxypent-3-enyl] N-(4-methylsulfanylphenyl)carbamate
CID 23778621
N-(2-aminophenyl)-7-methoxy-7-phenylhepta-2,4-dienamide
CID 74015252
(E)-N-(2-aminophenyl)-4-methylpent-2-enamide
CID 59715941
(E)-N-(2-aminophenyl)-3-[4-[(3,4-dimethoxyphenyl)sulfanylmethyl]phenyl]prop-2-enamide
CID 155551155
(3S)-3-hydroxy-3-(3-hydroxy-4-methoxyphenyl)propanoic acid
CID 94425310
(E,6S,7S)-N-(2-aminophenyl)-7-hydroxy-7-[4-(2-hydroxyethoxy)phenyl]-6-methylhept-2-enamide
CID 23864980
(E,7R)-N-(2-aminophenyl)-7-hydroxy-7-[4-(2-hydroxyethoxy)phenyl]hept-2-enamide
CID 23920857
(E,6R,7R)-N,7-dihydroxy-7-(3-hydroxy-4-methoxyphenyl)-6-methylhept-2-enamide
CID 23976287

Frequently Asked Questions

What is the IUPAC name of (E,5R)-N-(2-aminophenyl)-5-hydroxy-5-(3-hydroxy-4-methoxyphenyl)pent-2-enamide?
The IUPAC name of (E,5R)-N-(2-aminophenyl)-5-hydroxy-5-(3-hydroxy-4-methoxyphenyl)pent-2-enamide (CID 23948201) is (E,5R)-N-(2-aminophenyl)-5-hydroxy-5-(3-hydroxy-4-methoxyphenyl)pent-2-enamide.
What is the SMILES notation for (E,5R)-N-(2-aminophenyl)-5-hydroxy-5-(3-hydroxy-4-methoxyphenyl)pent-2-enamide?
The canonical SMILES for (E,5R)-N-(2-aminophenyl)-5-hydroxy-5-(3-hydroxy-4-methoxyphenyl)pent-2-enamide is COc1ccc([C@H](O)C/C=C/C(=O)Nc2ccccc2N)cc1O.
What is the InChIKey of (E,5R)-N-(2-aminophenyl)-5-hydroxy-5-(3-hydroxy-4-methoxyphenyl)pent-2-enamide?
The InChIKey is PPFOXDYQIIXULX-SGJXGLNRSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-24-17-10-9-12(11-16(17)22)15(21)7-4-8-18(23)20-14-6-3-2-5-13(14)19/h2-6,8-11,15,21-22H,7,19H2,1H3,(H,20,23)/b8-4+/t15-/m1/s1.
What are the key properties of (E,5R)-N-(2-aminophenyl)-5-hydroxy-5-(3-hydroxy-4-methoxyphenyl)pent-2-enamide?
(E,5R)-N-(2-aminophenyl)-5-hydroxy-5-(3-hydroxy-4-methoxyphenyl)pent-2-enamide has a molecular weight of 328.37 g/mol, XLogP of 2.60, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R)-N-(2-aminophenyl)-5-hydroxy-5-(3-hydroxy-4-methoxyphenyl)pent-2-enamide is sourced from PubChem (CID 23948201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).