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

C21H26N2O6 — CID 127027420

IUPAC(2S)-2-amino-3-hydroxy-N-[5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(NC(=O)[C@@H](N)CO)c1
InChIInChI=1S/C21H26N2O6/c1-26-15-8-7-14(17(11-15)23-21(25)16(22)12-24)6-5-13-9-18(27-2)20(29-4)19(10-13)28-3/h5-11,16,24H,12,22H2,1-4H3,(H,23,25)/b6-5-/t16-/m0/s1
InChIKeyCQQXKCLLEWVOKO-KJPDOMRESA-N
MW402.45 g/mol
LogP2.15
Rot. Bonds9

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

(2S)-2-amino-3-hydroxy-N-[5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide (PubChem CID 127027420) has the molecular formula C21H26N2O6 and a molecular weight of 402.45 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxy-N-[5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxy-N-[5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide
PubChem CID127027420
Molecular FormulaC21H26N2O6
Molecular Weight402.45 g/mol
Exact Mass402.18
IUPAC Name(2S)-2-amino-3-hydroxy-N-[5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(NC(=O)[C@@H](N)CO)c1
InChIInChI=1S/C21H26N2O6/c1-26-15-8-7-14(17(11-15)23-21(25)16(22)12-24)6-5-13-9-18(27-2)20(29-4)19(10-13)28-3/h5-11,16,24H,12,22H2,1-4H3,(H,23,25)/b6-5-/t16-/m0/s1
InChIKeyCQQXKCLLEWVOKO-KJPDOMRESA-N
XLogP2.15
TPSA112.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
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'}

Analyze (2S)-2-amino-3-hydroxy-N-[5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxy-N-[5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide?
The IUPAC name of (2S)-2-amino-3-hydroxy-N-[5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide (CID 127027420) is (2S)-2-amino-3-hydroxy-N-[5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-hydroxy-N-[5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide?
The canonical SMILES for (2S)-2-amino-3-hydroxy-N-[5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide is COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(NC(=O)[C@@H](N)CO)c1.
What is the InChIKey of (2S)-2-amino-3-hydroxy-N-[5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide?
The InChIKey is CQQXKCLLEWVOKO-KJPDOMRESA-N. The full InChI is InChI=1S/C21H26N2O6/c1-26-15-8-7-14(17(11-15)23-21(25)16(22)12-24)6-5-13-9-18(27-2)20(29-4)19(10-13)28-3/h5-11,16,24H,12,22H2,1-4H3,(H,23,25)/b6-5-/t16-/m0/s1.
What are the key properties of (2S)-2-amino-3-hydroxy-N-[5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide?
(2S)-2-amino-3-hydroxy-N-[5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide has a molecular weight of 402.45 g/mol, XLogP of 2.15, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxy-N-[5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide is sourced from PubChem (CID 127027420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).