2-[4-[3-(4-methylphenoxy)propanoylamino]phenyl]acetic acid

C18H19NO4 — CID 45346370

IUPAC2-[4-[3-(4-methylphenoxy)propanoylamino]phenyl]acetic acid
SMILESCc1ccc(OCCC(=O)Nc2ccc(CC(=O)O)cc2)cc1
InChIInChI=1S/C18H19NO4/c1-13-2-8-16(9-3-13)23-11-10-17(20)19-15-6-4-14(5-7-15)12-18(21)22/h2-9H,10-12H2,1H3,(H,19,20)(H,21,22)
InChIKeyMVSRQJFHQRLTAS-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.03
Rot. Bonds7

About 2-[4-[3-(4-methylphenoxy)propanoylamino]phenyl]acetic acid

2-[4-[3-(4-methylphenoxy)propanoylamino]phenyl]acetic acid (PubChem CID 45346370) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 2-[4-[3-(4-methylphenoxy)propanoylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(4-methylphenoxy)propanoylamino]phenyl]acetic acid
PubChem CID45346370
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name2-[4-[3-(4-methylphenoxy)propanoylamino]phenyl]acetic acid
SMILESCc1ccc(OCCC(=O)Nc2ccc(CC(=O)O)cc2)cc1
InChIInChI=1S/C18H19NO4/c1-13-2-8-16(9-3-13)23-11-10-17(20)19-15-6-4-14(5-7-15)12-18(21)22/h2-9H,10-12H2,1H3,(H,19,20)(H,21,22)
InChIKeyMVSRQJFHQRLTAS-UHFFFAOYSA-N
XLogP3.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylphenoxy)-N-(4-phenylphenyl)propanamide
CID 18276176
3-(4-methylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 7963977
3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
CID 31855578
3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide
CID 18266665
2-[4-[3-(4-octadecoxyphenyl)propanoylamino]phenyl]acetic acid
CID 139918168
2-[4-[3-(ethylamino)-3-oxopropoxy]phenyl]acetic acid
CID 62325818
2-[4-[3-(methylcarbamoylamino)-3-oxopropoxy]phenyl]acetic acid
CID 43310268
propyl 4-[3-(4-methylphenoxy)propanoylamino]benzoate
CID 108802763
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(4-methylphenoxy)propanamide
CID 9492849
3-phenoxy-N-(4-phenoxyphenyl)propanamide
CID 108795457
3-[4-[3-(4-propoxyphenyl)propanoylamino]phenyl]propanoic acid
CID 119252286
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-methylphenoxy)propanoylamino]phenyl]acetic acid?
The IUPAC name of 2-[4-[3-(4-methylphenoxy)propanoylamino]phenyl]acetic acid (CID 45346370) is 2-[4-[3-(4-methylphenoxy)propanoylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[3-(4-methylphenoxy)propanoylamino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[3-(4-methylphenoxy)propanoylamino]phenyl]acetic acid is Cc1ccc(OCCC(=O)Nc2ccc(CC(=O)O)cc2)cc1.
What is the InChIKey of 2-[4-[3-(4-methylphenoxy)propanoylamino]phenyl]acetic acid?
The InChIKey is MVSRQJFHQRLTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-13-2-8-16(9-3-13)23-11-10-17(20)19-15-6-4-14(5-7-15)12-18(21)22/h2-9H,10-12H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-[4-[3-(4-methylphenoxy)propanoylamino]phenyl]acetic acid?
2-[4-[3-(4-methylphenoxy)propanoylamino]phenyl]acetic acid has a molecular weight of 313.35 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-methylphenoxy)propanoylamino]phenyl]acetic acid is sourced from PubChem (CID 45346370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).