2-[3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]phenyl]acetic acid

C20H21NO5 — CID 119351782

IUPAC2-[3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]phenyl]acetic acid
SMILESCOc1ccc(C(=O)CCCC(=O)Nc2cccc(CC(=O)O)c2)cc1
InChIInChI=1S/C20H21NO5/c1-26-17-10-8-15(9-11-17)18(22)6-3-7-19(23)21-16-5-2-4-14(12-16)13-20(24)25/h2,4-5,8-12H,3,6-7,13H2,1H3,(H,21,23)(H,24,25)
InChIKeyBTYFBMVOXUQSED-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.31
Rot. Bonds9

About 2-[3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]phenyl]acetic acid

2-[3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]phenyl]acetic acid (PubChem CID 119351782) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]phenyl]acetic acid
PubChem CID119351782
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name2-[3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]phenyl]acetic acid
SMILESCOc1ccc(C(=O)CCCC(=O)Nc2cccc(CC(=O)O)c2)cc1
InChIInChI=1S/C20H21NO5/c1-26-17-10-8-15(9-11-17)18(22)6-3-7-19(23)21-16-5-2-4-14(12-16)13-20(24)25/h2,4-5,8-12H,3,6-7,13H2,1H3,(H,21,23)(H,24,25)
InChIKeyBTYFBMVOXUQSED-UHFFFAOYSA-N
XLogP3.31
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-anilinophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 52710157
N-[3-(ethylaminomethyl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 119438264
2-[3-[3-(2,5-dimethoxyphenyl)propanoylamino]phenyl]acetic acid
CID 119352036
2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]acetic acid
CID 119351665
2-[3-(hexanoylamino)phenyl]acetic acid
CID 65345952
2-[3-(4-propan-2-yloxybutanoylamino)phenyl]acetic acid
CID 120688421
5-(4-methoxyphenyl)-5-oxo-N-(3-pyrazol-1-ylphenyl)pentanamide
CID 55963096
2-[3-(4-methoxyanilino)phenyl]acetic acid
CID 155289963
N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 3604523
2-[[3-[4-(4-methoxyphenyl)butanoylamino]phenyl]methylsulfanyl]acetic acid
CID 119240560
methyl 2-chloro-5-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]benzoate
CID 110306530
5-(4-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 55905335

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]phenyl]acetic acid (CID 119351782) is 2-[3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]phenyl]acetic acid is COc1ccc(C(=O)CCCC(=O)Nc2cccc(CC(=O)O)c2)cc1.
What is the InChIKey of 2-[3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]phenyl]acetic acid?
The InChIKey is BTYFBMVOXUQSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-26-17-10-8-15(9-11-17)18(22)6-3-7-19(23)21-16-5-2-4-14(12-16)13-20(24)25/h2,4-5,8-12H,3,6-7,13H2,1H3,(H,21,23)(H,24,25).
What are the key properties of 2-[3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]phenyl]acetic acid?
2-[3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]phenyl]acetic acid has a molecular weight of 355.39 g/mol, XLogP of 3.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 119351782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).