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

C21H26N2O5 — CID 68521908

IUPAC(2S)-2-amino-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@H](C)N
InChIInChI=1S/C21H26N2O5/c1-13(22)21(24)23-16-10-14(8-9-17(16)25-2)6-7-15-11-18(26-3)20(28-5)19(12-15)27-4/h6-13H,22H2,1-5H3,(H,23,24)/b7-6-/t13-/m0/s1
InChIKeyAJVKUBQUXJCOLP-FWWRYZNZSA-N
MW386.45 g/mol
LogP3.18
Rot. Bonds8

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

(2S)-2-amino-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide (PubChem CID 68521908) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide
PubChem CID68521908
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name(2S)-2-amino-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@H](C)N
InChIInChI=1S/C21H26N2O5/c1-13(22)21(24)23-16-10-14(8-9-17(16)25-2)6-7-15-11-18(26-3)20(28-5)19(12-15)27-4/h6-13H,22H2,1-5H3,(H,23,24)/b7-6-/t13-/m0/s1
InChIKeyAJVKUBQUXJCOLP-FWWRYZNZSA-N
XLogP3.18
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide (CID 68521908) is (2S)-2-amino-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide is COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide?
The InChIKey is AJVKUBQUXJCOLP-FWWRYZNZSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-13(22)21(24)23-16-10-14(8-9-17(16)25-2)6-7-15-11-18(26-3)20(28-5)19(12-15)27-4/h6-13H,22H2,1-5H3,(H,23,24)/b7-6-/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide?
(2S)-2-amino-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide has a molecular weight of 386.45 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide is sourced from PubChem (CID 68521908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).