2-[4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid

C21H23NO5 — CID 100668327

IUPAC2-[4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid
SMILESCOc1ccc(C2(C(=O)Nc3ccc(OCC(=O)O)cc3)CCCC2)cc1
InChIInChI=1S/C21H23NO5/c1-26-17-8-4-15(5-9-17)21(12-2-3-13-21)20(25)22-16-6-10-18(11-7-16)27-14-19(23)24/h4-11H,2-3,12-14H2,1H3,(H,22,25)(H,23,24)
InChIKeyMGBHDNOBHXMXJP-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.61
Rot. Bonds7

About 2-[4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid

2-[4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid (PubChem CID 100668327) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid
PubChem CID100668327
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name2-[4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid
SMILESCOc1ccc(C2(C(=O)Nc3ccc(OCC(=O)O)cc3)CCCC2)cc1
InChIInChI=1S/C21H23NO5/c1-26-17-8-4-15(5-9-17)21(12-2-3-13-21)20(25)22-16-6-10-18(11-7-16)27-14-19(23)24/h4-11H,2-3,12-14H2,1H3,(H,22,25)(H,23,24)
InChIKeyMGBHDNOBHXMXJP-UHFFFAOYSA-N
XLogP3.61
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid
CID 100665395
N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 94829289
N-(4-butoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100668241
1-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 113198528
N-(4-methoxy-3,5-dimethylphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100668870
2-[4-[(1-methylcyclobutanecarbonyl)amino]phenoxy]acetic acid
CID 120537255
N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 133188335
N-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100668537
4-(4-methoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]oxane-4-carboxamide
CID 100687083
N-(4-butoxyphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100686987
4-(4-methoxyphenyl)-N-(4-propoxyphenyl)oxane-4-carboxamide
CID 100686962
N-(4-methoxyphenyl)-1-[4-[[2-(4-nitrophenyl)acetyl]amino]phenyl]cyclopentane-1-carboxamide
CID 2958215

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid (CID 100668327) is 2-[4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid is COc1ccc(C2(C(=O)Nc3ccc(OCC(=O)O)cc3)CCCC2)cc1.
What is the InChIKey of 2-[4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid?
The InChIKey is MGBHDNOBHXMXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-26-17-8-4-15(5-9-17)21(12-2-3-13-21)20(25)22-16-6-10-18(11-7-16)27-14-19(23)24/h4-11H,2-3,12-14H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-[4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid?
2-[4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid has a molecular weight of 369.42 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 100668327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).