2-methyl-2-[3-[(4-phenylmethoxyphenyl)methylamino]phenoxy]propanoic acid

C24H25NO4 — CID 139501075

IUPAC2-methyl-2-[3-[(4-phenylmethoxyphenyl)methylamino]phenoxy]propanoic acid
SMILESCC(C)(Oc1cccc(NCc2ccc(OCc3ccccc3)cc2)c1)C(=O)O
InChIInChI=1S/C24H25NO4/c1-24(2,23(26)27)29-22-10-6-9-20(15-22)25-16-18-11-13-21(14-12-18)28-17-19-7-4-3-5-8-19/h3-15,25H,16-17H2,1-2H3,(H,26,27)
InChIKeyYFNRSUOYRCZTAD-UHFFFAOYSA-N
MW391.47 g/mol
LogP5.12
Rot. Bonds9

About 2-methyl-2-[3-[(4-phenylmethoxyphenyl)methylamino]phenoxy]propanoic acid

2-methyl-2-[3-[(4-phenylmethoxyphenyl)methylamino]phenoxy]propanoic acid (PubChem CID 139501075) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-methyl-2-[3-[(4-phenylmethoxyphenyl)methylamino]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[3-[(4-phenylmethoxyphenyl)methylamino]phenoxy]propanoic acid
PubChem CID139501075
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name2-methyl-2-[3-[(4-phenylmethoxyphenyl)methylamino]phenoxy]propanoic acid
SMILESCC(C)(Oc1cccc(NCc2ccc(OCc3ccccc3)cc2)c1)C(=O)O
InChIInChI=1S/C24H25NO4/c1-24(2,23(26)27)29-22-10-6-9-20(15-22)25-16-18-11-13-21(14-12-18)28-17-19-7-4-3-5-8-19/h3-15,25H,16-17H2,1-2H3,(H,26,27)
InChIKeyYFNRSUOYRCZTAD-UHFFFAOYSA-N
XLogP5.12
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-{[(4-Phenoxyphenyl)methyl]amino}phenyl)propanoic acid
CID 24825509
(S)-3-[4-(2-Diphenylamino-ethoxy)-phenyl]-2-ethoxy-propionic acid
CID 44321517
US9249085, I(ag)
CID 89443554
US9249085, I(ao)
CID 89443827
US9249085, I(al)
CID 89443871
Methyl {3-[(diphenylacetyl)amino]phenoxy}acetate
CID 1301261
oxalic acid;N-[[4-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]phenyl]methyl]aniline
CID 44285325
2-{4-[2-(1,2,3,4-Tetrahydro-quinolin-7-yloxy)-ethoxy]-benzyl}-malonic acid monomethyl ester
CID 44344272
2-(4-(((2-(2,4-Dimethylphenylamino)-2-oxoethyl)(4-methoxybenzyl)amino)methyl)phenoxy)-2-methylpropanoic acid
CID 46890417
7-[(2-Hydroxyphenyl)methylamino]-3,4-dimethylchromen-2-one
CID 118726187
2-[4-[[3-(4-Ethoxy-2,6-dimethylphenyl)phenyl]methylamino]phenoxy]acetic acid
CID 153211729
2-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methylamino]phenoxy]acetic acid
CID 155530636

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-[(4-phenylmethoxyphenyl)methylamino]phenoxy]propanoic acid?
The IUPAC name of 2-methyl-2-[3-[(4-phenylmethoxyphenyl)methylamino]phenoxy]propanoic acid (CID 139501075) is 2-methyl-2-[3-[(4-phenylmethoxyphenyl)methylamino]phenoxy]propanoic acid.
What is the SMILES notation for 2-methyl-2-[3-[(4-phenylmethoxyphenyl)methylamino]phenoxy]propanoic acid?
The canonical SMILES for 2-methyl-2-[3-[(4-phenylmethoxyphenyl)methylamino]phenoxy]propanoic acid is CC(C)(Oc1cccc(NCc2ccc(OCc3ccccc3)cc2)c1)C(=O)O.
What is the InChIKey of 2-methyl-2-[3-[(4-phenylmethoxyphenyl)methylamino]phenoxy]propanoic acid?
The InChIKey is YFNRSUOYRCZTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-24(2,23(26)27)29-22-10-6-9-20(15-22)25-16-18-11-13-21(14-12-18)28-17-19-7-4-3-5-8-19/h3-15,25H,16-17H2,1-2H3,(H,26,27).
What are the key properties of 2-methyl-2-[3-[(4-phenylmethoxyphenyl)methylamino]phenoxy]propanoic acid?
2-methyl-2-[3-[(4-phenylmethoxyphenyl)methylamino]phenoxy]propanoic acid has a molecular weight of 391.47 g/mol, XLogP of 5.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-[(4-phenylmethoxyphenyl)methylamino]phenoxy]propanoic acid is sourced from PubChem (CID 139501075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).