2-[4-methoxy-3-[2-[[(3-oxo-3-phenylmethoxypropyl)amino]methyl]phenyl]phenyl]acetic acid

C26H27NO5 — CID 68632775

IUPAC2-[4-methoxy-3-[2-[[(3-oxo-3-phenylmethoxypropyl)amino]methyl]phenyl]phenyl]acetic acid
SMILESCOc1ccc(CC(=O)O)cc1-c1ccccc1CNCCC(=O)OCc1ccccc1
InChIInChI=1S/C26H27NO5/c1-31-24-12-11-20(16-25(28)29)15-23(24)22-10-6-5-9-21(22)17-27-14-13-26(30)32-18-19-7-3-2-4-8-19/h2-12,15,27H,13-14,16-18H2,1H3,(H,28,29)
InChIKeyLZNXAPBMAOCPMD-UHFFFAOYSA-N
MW433.50 g/mol
LogP4.21
Rot. Bonds11

About 2-[4-methoxy-3-[2-[[(3-oxo-3-phenylmethoxypropyl)amino]methyl]phenyl]phenyl]acetic acid

2-[4-methoxy-3-[2-[[(3-oxo-3-phenylmethoxypropyl)amino]methyl]phenyl]phenyl]acetic acid (PubChem CID 68632775) has the molecular formula C26H27NO5 and a molecular weight of 433.50 g/mol. Its IUPAC name is 2-[4-methoxy-3-[2-[[(3-oxo-3-phenylmethoxypropyl)amino]methyl]phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-methoxy-3-[2-[[(3-oxo-3-phenylmethoxypropyl)amino]methyl]phenyl]phenyl]acetic acid
PubChem CID68632775
Molecular FormulaC26H27NO5
Molecular Weight433.50 g/mol
Exact Mass433.19
IUPAC Name2-[4-methoxy-3-[2-[[(3-oxo-3-phenylmethoxypropyl)amino]methyl]phenyl]phenyl]acetic acid
SMILESCOc1ccc(CC(=O)O)cc1-c1ccccc1CNCCC(=O)OCc1ccccc1
InChIInChI=1S/C26H27NO5/c1-31-24-12-11-20(16-25(28)29)15-23(24)22-10-6-5-9-21(22)17-27-14-13-26(30)32-18-19-7-3-2-4-8-19/h2-12,15,27H,13-14,16-18H2,1H3,(H,28,29)
InChIKeyLZNXAPBMAOCPMD-UHFFFAOYSA-N
XLogP4.21
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-methoxy-3-[2-[[(3-oxo-3-phenylmethoxypropyl)amino]methyl]phenyl]phenyl]acetic acid with MolForge

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Related Compounds

benzyl 3-[[5-carboxyoxy-2-[5-(2-ethoxy-2-oxoethyl)-2-methoxyphenyl]phenyl]methylamino]propanoate
CID 118619870
2-[3-[2-[[(3-oxo-3-phenylmethoxypropyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-phenylmethoxyphenyl]acetic acid
CID 66605529
ethyl 2-[4-methoxy-3-[2-[[(3-oxo-3-phenylmethoxypropyl)amino]methyl]-4-(trifluoromethyl)phenyl]phenyl]propanoate
CID 66606832
2-[4-methoxy-3-[4-(methoxycarbonylamino)-2-[(3-oxobutylamino)methyl]phenyl]phenyl]acetic acid
CID 142785782
2-[3-[2-[[(3-cyclopropyl-3-oxopropyl)amino]methyl]-4-fluorophenyl]-4-methoxyphenyl]acetic acid
CID 66604258
(3,4-dimethoxyphenyl)methyl 2-[2-[2-[2-[(3,4-dimethoxyphenyl)methoxy]-2-oxoethyl]phenyl]phenyl]acetate
CID 24764052
CID 59270509
CID 59270509
2-[3-[4-methoxy-3-[[(4-phenylphenyl)methoxycarbonylamino]methyl]phenyl]phenyl]acetic acid
CID 59218875
ethyl 4-bromo-3-[[(3-oxo-3-phenylmethoxypropyl)amino]methyl]benzoate
CID 66604184
2-[2-fluoro-5-[2-[[(3-oxo-3-phenylmethoxypropyl)amino]methyl]-4-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 66607864
2-[3-[2-[[(3-cyclopropyl-3-oxopropyl)amino]methyl]-4-(1-methylpyrazol-4-yl)phenyl]-4-methoxyphenyl]acetic acid
CID 66607044
2-[3-[2-[[(3-cyclopropyl-3-oxopropyl)amino]methyl]-4-(6-ethoxy-3-pyridinyl)phenyl]-4-methoxyphenyl]acetic acid
CID 66607898

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-[2-[[(3-oxo-3-phenylmethoxypropyl)amino]methyl]phenyl]phenyl]acetic acid?
The IUPAC name of 2-[4-methoxy-3-[2-[[(3-oxo-3-phenylmethoxypropyl)amino]methyl]phenyl]phenyl]acetic acid (CID 68632775) is 2-[4-methoxy-3-[2-[[(3-oxo-3-phenylmethoxypropyl)amino]methyl]phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-methoxy-3-[2-[[(3-oxo-3-phenylmethoxypropyl)amino]methyl]phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-methoxy-3-[2-[[(3-oxo-3-phenylmethoxypropyl)amino]methyl]phenyl]phenyl]acetic acid is COc1ccc(CC(=O)O)cc1-c1ccccc1CNCCC(=O)OCc1ccccc1.
What is the InChIKey of 2-[4-methoxy-3-[2-[[(3-oxo-3-phenylmethoxypropyl)amino]methyl]phenyl]phenyl]acetic acid?
The InChIKey is LZNXAPBMAOCPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO5/c1-31-24-12-11-20(16-25(28)29)15-23(24)22-10-6-5-9-21(22)17-27-14-13-26(30)32-18-19-7-3-2-4-8-19/h2-12,15,27H,13-14,16-18H2,1H3,(H,28,29).
What are the key properties of 2-[4-methoxy-3-[2-[[(3-oxo-3-phenylmethoxypropyl)amino]methyl]phenyl]phenyl]acetic acid?
2-[4-methoxy-3-[2-[[(3-oxo-3-phenylmethoxypropyl)amino]methyl]phenyl]phenyl]acetic acid has a molecular weight of 433.50 g/mol, XLogP of 4.21, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-[2-[[(3-oxo-3-phenylmethoxypropyl)amino]methyl]phenyl]phenyl]acetic acid is sourced from PubChem (CID 68632775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).