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

C18H19NO4 — CID 17362890

IUPAC2-[4-[3-(2-methoxyphenyl)propanoylamino]phenyl]acetic acid
SMILESCOc1ccccc1CCC(=O)Nc1ccc(CC(=O)O)cc1
InChIInChI=1S/C18H19NO4/c1-23-16-5-3-2-4-14(16)8-11-17(20)19-15-9-6-13(7-10-15)12-18(21)22/h2-7,9-10H,8,11-12H2,1H3,(H,19,20)(H,21,22)
InChIKeyXZPXVLQUTCESNG-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.89
Rot. Bonds7

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

2-[4-[3-(2-methoxyphenyl)propanoylamino]phenyl]acetic acid (PubChem CID 17362890) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 2-[4-[3-(2-methoxyphenyl)propanoylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(2-methoxyphenyl)propanoylamino]phenyl]acetic acid
PubChem CID17362890
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name2-[4-[3-(2-methoxyphenyl)propanoylamino]phenyl]acetic acid
SMILESCOc1ccccc1CCC(=O)Nc1ccc(CC(=O)O)cc1
InChIInChI=1S/C18H19NO4/c1-23-16-5-3-2-4-14(16)8-11-17(20)19-15-9-6-13(7-10-15)12-18(21)22/h2-7,9-10H,8,11-12H2,1H3,(H,19,20)(H,21,22)
InChIKeyXZPXVLQUTCESNG-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837
N-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)propanoylamino]benzamide
CID 7998968
2-(4-fluorophenyl)-N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]acetamide
CID 112983523
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
N-(3-ethylphenyl)-3-(2-methoxyphenyl)propanamide
CID 7699788
N-(2-benzylphenyl)-3-(2-methoxyphenyl)propanamide
CID 8023813
2-[3-(2-methoxyphenyl)propanoylamino]acetic acid
CID 43091942
N'-[2-(4-fluorophenyl)acetyl]-3-(2-methoxyphenyl)propanehydrazide
CID 40730249
tert-butyl N-[3-[4-[[3-(2-methoxyphenyl)propanoylamino]methyl]anilino]-3-oxopropyl]carbamate
CID 108920661
N-(2,6-diethylphenyl)-3-(2-methoxyphenyl)propanamide
CID 51143891
3-(2-methoxy-5-methylphenyl)-N-phenylpropanamide
CID 154159479
2-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]acetic acid
CID 45346474

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-methoxyphenyl)propanoylamino]phenyl]acetic acid?
The IUPAC name of 2-[4-[3-(2-methoxyphenyl)propanoylamino]phenyl]acetic acid (CID 17362890) is 2-[4-[3-(2-methoxyphenyl)propanoylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[3-(2-methoxyphenyl)propanoylamino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[3-(2-methoxyphenyl)propanoylamino]phenyl]acetic acid is COc1ccccc1CCC(=O)Nc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[3-(2-methoxyphenyl)propanoylamino]phenyl]acetic acid?
The InChIKey is XZPXVLQUTCESNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-23-16-5-3-2-4-14(16)8-11-17(20)19-15-9-6-13(7-10-15)12-18(21)22/h2-7,9-10H,8,11-12H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-[4-[3-(2-methoxyphenyl)propanoylamino]phenyl]acetic acid?
2-[4-[3-(2-methoxyphenyl)propanoylamino]phenyl]acetic acid has a molecular weight of 313.35 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-methoxyphenyl)propanoylamino]phenyl]acetic acid is sourced from PubChem (CID 17362890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).