(2S)-3-hydroxy-2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]propanamide

C21H26N2O6 — CID 10203538

IUPAC(2S)-3-hydroxy-2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]propanamide
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1N[C@@H](CO)C(N)=O
InChIInChI=1S/C21H26N2O6/c1-26-17-8-7-13(9-15(17)23-16(12-24)21(22)25)5-6-14-10-18(27-2)20(29-4)19(11-14)28-3/h5-11,16,23-24H,12H2,1-4H3,(H2,22,25)/b6-5-/t16-/m0/s1
InChIKeyJRNWPLTZMVVQMB-KJPDOMRESA-N
MW402.45 g/mol
LogP2.15
Rot. Bonds10

About (2S)-3-hydroxy-2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]propanamide

(2S)-3-hydroxy-2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]propanamide (PubChem CID 10203538) has the molecular formula C21H26N2O6 and a molecular weight of 402.45 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]propanamide.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]propanamide
PubChem CID10203538
Molecular FormulaC21H26N2O6
Molecular Weight402.45 g/mol
Exact Mass402.18
IUPAC Name(2S)-3-hydroxy-2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]propanamide
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1N[C@@H](CO)C(N)=O
InChIInChI=1S/C21H26N2O6/c1-26-17-8-7-13(9-15(17)23-16(12-24)21(22)25)5-6-14-10-18(27-2)20(29-4)19(11-14)28-3/h5-11,16,23-24H,12H2,1-4H3,(H2,22,25)/b6-5-/t16-/m0/s1
InChIKeyJRNWPLTZMVVQMB-KJPDOMRESA-N
XLogP2.15
TPSA112.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-3-hydroxy-1-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-oxopropan-2-yl]azanium chloride
CID 135019706
2-amino-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide
CID 68521859
2-amino-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide
CID 68521879
(E)-3-(3,4-dimethoxyphenyl)-N-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 134197468
(2S)-2-amino-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-methylbutanamide
CID 68521811
(E)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 155816075
methyl 2-[2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-2-oxoethoxy]acetate
CID 20742908
5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene;phosphoric acid
CID 69301542
2-amino-4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-4-oxobutanoic acid;hydrochloride
CID 5467055
N-diethoxyphosphoryl-2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 85046153
N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide
CID 135359423
(E)-3-(3,4-dimethoxyphenyl)-N-[2-hydroxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359579

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]propanamide?
The IUPAC name of (2S)-3-hydroxy-2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]propanamide (CID 10203538) is (2S)-3-hydroxy-2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]propanamide.
What is the SMILES notation for (2S)-3-hydroxy-2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]propanamide?
The canonical SMILES for (2S)-3-hydroxy-2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]propanamide is COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1N[C@@H](CO)C(N)=O.
What is the InChIKey of (2S)-3-hydroxy-2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]propanamide?
The InChIKey is JRNWPLTZMVVQMB-KJPDOMRESA-N. The full InChI is InChI=1S/C21H26N2O6/c1-26-17-8-7-13(9-15(17)23-16(12-24)21(22)25)5-6-14-10-18(27-2)20(29-4)19(11-14)28-3/h5-11,16,23-24H,12H2,1-4H3,(H2,22,25)/b6-5-/t16-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]propanamide?
(2S)-3-hydroxy-2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]propanamide has a molecular weight of 402.45 g/mol, XLogP of 2.15, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]propanamide is sourced from PubChem (CID 10203538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).