2-[[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]acetyl]amino]acetic acid

C26H25NO4 — CID 3035470

IUPAC2-[[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]acetyl]amino]acetic acid
SMILESCC/C(=C(\c1ccccc1)c1ccc(OCC(=O)NCC(=O)O)cc1)c1ccccc1
InChIInChI=1S/C26H25NO4/c1-2-23(19-9-5-3-6-10-19)26(20-11-7-4-8-12-20)21-13-15-22(16-14-21)31-18-24(28)27-17-25(29)30/h3-16H,2,17-18H2,1H3,(H,27,28)(H,29,30)/b26-23-
InChIKeyMSFNIRBACRRKGX-RWEWTDSWSA-N
MW415.49 g/mol
LogP4.64
Rot. Bonds9

About 2-[[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]acetyl]amino]acetic acid

2-[[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]acetyl]amino]acetic acid (PubChem CID 3035470) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-[[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]acetyl]amino]acetic acid
PubChem CID3035470
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC Name2-[[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]acetyl]amino]acetic acid
SMILESCC/C(=C(\c1ccccc1)c1ccc(OCC(=O)NCC(=O)O)cc1)c1ccccc1
InChIInChI=1S/C26H25NO4/c1-2-23(19-9-5-3-6-10-19)26(20-11-7-4-8-12-20)21-13-15-22(16-14-21)31-18-24(28)27-17-25(29)30/h3-16H,2,17-18H2,1H3,(H,27,28)(H,29,30)/b26-23-
InChIKeyMSFNIRBACRRKGX-RWEWTDSWSA-N
XLogP4.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[1,1-bis(4-hydroxyphenyl)but-1-en-2-yl]phenoxy]acetic acid
CID 10620416
1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene
CID 149186227
1-ethoxy-4-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]benzene
CID 173277098
2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 9157069
N-(3-phenylprop-2-ynyl)-2-(4-propanoylphenoxy)acetamide
CID 51326556
1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane
CID 170597875
N-[2-[4-(1,2-diphenylbut-1-enyl)phenoxy]ethyl]-N-methylpropanamide
CID 166643688
2-[[2-(4-benzoylphenoxy)acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 9202240
[4-[1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenyl] dihydrogen phosphate;phosphoric acid
CID 173074726
(2S,3S)-2-[[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]methyl]-3-methyloxirane
CID 88751480
N-[2-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylamino]-2-oxoethyl]benzamide
CID 108539308
3-[(E)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 3035880

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]acetyl]amino]acetic acid (CID 3035470) is 2-[[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]acetyl]amino]acetic acid is CC/C(=C(\c1ccccc1)c1ccc(OCC(=O)NCC(=O)O)cc1)c1ccccc1.
What is the InChIKey of 2-[[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]acetyl]amino]acetic acid?
The InChIKey is MSFNIRBACRRKGX-RWEWTDSWSA-N. The full InChI is InChI=1S/C26H25NO4/c1-2-23(19-9-5-3-6-10-19)26(20-11-7-4-8-12-20)21-13-15-22(16-14-21)31-18-24(28)27-17-25(29)30/h3-16H,2,17-18H2,1H3,(H,27,28)(H,29,30)/b26-23-.
What are the key properties of 2-[[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]acetyl]amino]acetic acid?
2-[[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]acetyl]amino]acetic acid has a molecular weight of 415.49 g/mol, XLogP of 4.64, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]acetyl]amino]acetic acid is sourced from PubChem (CID 3035470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).