3-[2-methoxy-4-[(2-methoxy-6-phenyl-3-pyridinyl)methylamino]phenyl]propanoic acid

C23H24N2O4 — CID 44546853

IUPAC3-[2-methoxy-4-[(2-methoxy-6-phenyl-3-pyridinyl)methylamino]phenyl]propanoic acid
SMILESCOc1cc(NCc2ccc(-c3ccccc3)nc2OC)ccc1CCC(=O)O
InChIInChI=1S/C23H24N2O4/c1-28-21-14-19(11-8-17(21)10-13-22(26)27)24-15-18-9-12-20(25-23(18)29-2)16-6-4-3-5-7-16/h3-9,11-12,14,24H,10,13,15H2,1-2H3,(H,26,27)
InChIKeyTXQPDMRDYQSDJJ-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.40
Rot. Bonds9

About 3-[2-methoxy-4-[(2-methoxy-6-phenyl-3-pyridinyl)methylamino]phenyl]propanoic acid

3-[2-methoxy-4-[(2-methoxy-6-phenyl-3-pyridinyl)methylamino]phenyl]propanoic acid (PubChem CID 44546853) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-[2-methoxy-4-[(2-methoxy-6-phenyl-3-pyridinyl)methylamino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-methoxy-4-[(2-methoxy-6-phenyl-3-pyridinyl)methylamino]phenyl]propanoic acid
PubChem CID44546853
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name3-[2-methoxy-4-[(2-methoxy-6-phenyl-3-pyridinyl)methylamino]phenyl]propanoic acid
SMILESCOc1cc(NCc2ccc(-c3ccccc3)nc2OC)ccc1CCC(=O)O
InChIInChI=1S/C23H24N2O4/c1-28-21-14-19(11-8-17(21)10-13-22(26)27)24-15-18-9-12-20(25-23(18)29-2)16-6-4-3-5-7-16/h3-9,11-12,14,24H,10,13,15H2,1-2H3,(H,26,27)
InChIKeyTXQPDMRDYQSDJJ-UHFFFAOYSA-N
XLogP4.40
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-methoxy-4-[(2-methoxy-6-phenyl-3-pyridinyl)methylamino]phenyl]propanoic acid with MolForge

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Related Compounds

3-[4-(benzylamino)-2-methylphenyl]propanoic acid
CID 70074103
3-(2-methyl-6-phenyl-3-pyridinyl)propanoic acid
CID 82452448
4-[(2-methoxy-4-phenylphenyl)methylamino]-2-methylbenzamide
CID 100656156
3-[4-(2-chlorophenyl)-2-methoxyphenyl]propanoic acid
CID 166398717
3-[6-(3-chloro-4-methoxyphenyl)-2-methyl-3-pyridinyl]propanoic acid
CID 82453435
3-(4-ethyl-2-methoxyphenyl)propanoic acid
CID 91883544
3-[3-[(2-chloro-3,4-dimethoxyphenyl)methylamino]phenyl]propanoic acid
CID 122044178
3-(2-methoxy-4-methylsulfanylphenyl)propanoic acid
CID 91881318
methyl 4-(benzylamino)-2-methoxybenzoate
CID 23068026
3-[2-(4-methoxyphenyl)quinolin-4-yl]propanoic acid;hydrochloride
CID 170330696
3-(4-ethoxy-2-methoxyphenyl)propanoic acid
CID 97034664
2-(2-methoxy-4-phenylphenyl)acetic acid
CID 23503476

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-4-[(2-methoxy-6-phenyl-3-pyridinyl)methylamino]phenyl]propanoic acid?
The IUPAC name of 3-[2-methoxy-4-[(2-methoxy-6-phenyl-3-pyridinyl)methylamino]phenyl]propanoic acid (CID 44546853) is 3-[2-methoxy-4-[(2-methoxy-6-phenyl-3-pyridinyl)methylamino]phenyl]propanoic acid.
What is the SMILES notation for 3-[2-methoxy-4-[(2-methoxy-6-phenyl-3-pyridinyl)methylamino]phenyl]propanoic acid?
The canonical SMILES for 3-[2-methoxy-4-[(2-methoxy-6-phenyl-3-pyridinyl)methylamino]phenyl]propanoic acid is COc1cc(NCc2ccc(-c3ccccc3)nc2OC)ccc1CCC(=O)O.
What is the InChIKey of 3-[2-methoxy-4-[(2-methoxy-6-phenyl-3-pyridinyl)methylamino]phenyl]propanoic acid?
The InChIKey is TXQPDMRDYQSDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-28-21-14-19(11-8-17(21)10-13-22(26)27)24-15-18-9-12-20(25-23(18)29-2)16-6-4-3-5-7-16/h3-9,11-12,14,24H,10,13,15H2,1-2H3,(H,26,27).
What are the key properties of 3-[2-methoxy-4-[(2-methoxy-6-phenyl-3-pyridinyl)methylamino]phenyl]propanoic acid?
3-[2-methoxy-4-[(2-methoxy-6-phenyl-3-pyridinyl)methylamino]phenyl]propanoic acid has a molecular weight of 392.46 g/mol, XLogP of 4.40, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-4-[(2-methoxy-6-phenyl-3-pyridinyl)methylamino]phenyl]propanoic acid is sourced from PubChem (CID 44546853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).