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

C20H23NO4 — CID 120686853

IUPAC2-[2-[3-(4-methoxyphenyl)pentanoylamino]phenyl]acetic acid
SMILESCCC(CC(=O)Nc1ccccc1CC(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C20H23NO4/c1-3-14(15-8-10-17(25-2)11-9-15)12-19(22)21-18-7-5-4-6-16(18)13-20(23)24/h4-11,14H,3,12-13H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyQMQQBGQYTHBNQE-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.84
Rot. Bonds8

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

2-[2-[3-(4-methoxyphenyl)pentanoylamino]phenyl]acetic acid (PubChem CID 120686853) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[2-[3-(4-methoxyphenyl)pentanoylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[3-(4-methoxyphenyl)pentanoylamino]phenyl]acetic acid
PubChem CID120686853
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name2-[2-[3-(4-methoxyphenyl)pentanoylamino]phenyl]acetic acid
SMILESCCC(CC(=O)Nc1ccccc1CC(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C20H23NO4/c1-3-14(15-8-10-17(25-2)11-9-15)12-19(22)21-18-7-5-4-6-16(18)13-20(23)24/h4-11,14H,3,12-13H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyQMQQBGQYTHBNQE-UHFFFAOYSA-N
XLogP3.84
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(2-ethylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17436555
2-[2-[(4-methoxybenzoyl)amino]phenyl]acetic acid
CID 62535136
5-(4-methoxyanilino)-5-oxo-3-phenylpentanoic acid
CID 2812800
4-[3-(4-methoxyphenyl)pentanoylamino]butanoic acid
CID 120684451
2-[3-(4-methoxyphenyl)pentanoylamino]-3-phenylpropanoic acid
CID 120684248
3-[3-(4-methoxyphenyl)pentanoylamino]-2,2-dimethylpropanoic acid
CID 120687909
2-[2-(2-methoxybutanoylamino)phenyl]acetic acid
CID 119353171
N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)pentanamide
CID 110008578
(3S)-N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 1309526
2-[2-(3-methoxypropanoylamino)phenyl]acetic acid
CID 55091248
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
(3S)-3-amino-3-(4-methoxyphenyl)-N-phenylpropanamide
CID 101486990

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(4-methoxyphenyl)pentanoylamino]phenyl]acetic acid?
The IUPAC name of 2-[2-[3-(4-methoxyphenyl)pentanoylamino]phenyl]acetic acid (CID 120686853) is 2-[2-[3-(4-methoxyphenyl)pentanoylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[3-(4-methoxyphenyl)pentanoylamino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[3-(4-methoxyphenyl)pentanoylamino]phenyl]acetic acid is CCC(CC(=O)Nc1ccccc1CC(=O)O)c1ccc(OC)cc1.
What is the InChIKey of 2-[2-[3-(4-methoxyphenyl)pentanoylamino]phenyl]acetic acid?
The InChIKey is QMQQBGQYTHBNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-3-14(15-8-10-17(25-2)11-9-15)12-19(22)21-18-7-5-4-6-16(18)13-20(23)24/h4-11,14H,3,12-13H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 2-[2-[3-(4-methoxyphenyl)pentanoylamino]phenyl]acetic acid?
2-[2-[3-(4-methoxyphenyl)pentanoylamino]phenyl]acetic acid has a molecular weight of 341.41 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(4-methoxyphenyl)pentanoylamino]phenyl]acetic acid is sourced from PubChem (CID 120686853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).