2-[4-[2-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]ethyl]phenoxy]acetic acid

C22H25NO4 — CID 119255604

IUPAC2-[4-[2-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]ethyl]phenoxy]acetic acid
SMILESCc1cc(C)cc(C2(C(=O)NCCc3ccc(OCC(=O)O)cc3)CC2)c1
InChIInChI=1S/C22H25NO4/c1-15-11-16(2)13-18(12-15)22(8-9-22)21(26)23-10-7-17-3-5-19(6-4-17)27-14-20(24)25/h3-6,11-13H,7-10,14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyMAVSKUFSRQKPKN-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.16
Rot. Bonds8

About 2-[4-[2-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]ethyl]phenoxy]acetic acid

2-[4-[2-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]ethyl]phenoxy]acetic acid (PubChem CID 119255604) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[4-[2-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]ethyl]phenoxy]acetic acid
PubChem CID119255604
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name2-[4-[2-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]ethyl]phenoxy]acetic acid
SMILESCc1cc(C)cc(C2(C(=O)NCCc3ccc(OCC(=O)O)cc3)CC2)c1
InChIInChI=1S/C22H25NO4/c1-15-11-16(2)13-18(12-15)22(8-9-22)21(26)23-10-7-17-3-5-19(6-4-17)27-14-20(24)25/h3-6,11-13H,7-10,14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyMAVSKUFSRQKPKN-UHFFFAOYSA-N
XLogP3.16
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl]phenoxy]acetic acid
CID 120528979
2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid
CID 22961946
2-[4-[2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]ethyl]phenoxy]acetic acid
CID 119255955
2-[4-[2-(2,3-dimethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529051
N-[2-(4-methoxyphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 4682158
1-(3-bromophenyl)-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 134002168
2-[3-[[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]methyl]phenoxy]acetic acid
CID 119246489
2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255722
2-[4-[2-(3-methoxypropanoylamino)ethyl]phenoxy]acetic acid
CID 119255509
ethyl 2-[4-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]phenoxy]acetate
CID 119338388
N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 39384693
1-(3,5-dimethylphenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
CID 56817206

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]ethyl]phenoxy]acetic acid (CID 119255604) is 2-[4-[2-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]ethyl]phenoxy]acetic acid is Cc1cc(C)cc(C2(C(=O)NCCc3ccc(OCC(=O)O)cc3)CC2)c1.
What is the InChIKey of 2-[4-[2-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]ethyl]phenoxy]acetic acid?
The InChIKey is MAVSKUFSRQKPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-15-11-16(2)13-18(12-15)22(8-9-22)21(26)23-10-7-17-3-5-19(6-4-17)27-14-20(24)25/h3-6,11-13H,7-10,14H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 2-[4-[2-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]ethyl]phenoxy]acetic acid?
2-[4-[2-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]ethyl]phenoxy]acetic acid has a molecular weight of 367.45 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]ethyl]phenoxy]acetic acid is sourced from PubChem (CID 119255604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).