2-[2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]phenyl]acetic acid

C20H20N2O5 — CID 119218358

IUPAC2-[2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)COc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C20H20N2O5/c23-18(22-17-7-2-1-4-14(17)10-19(24)25)12-27-16-6-3-5-15(11-16)21-20(26)13-8-9-13/h1-7,11,13H,8-10,12H2,(H,21,26)(H,22,23)(H,24,25)
InChIKeyAYAXHRJRPHGCPY-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.68
Rot. Bonds8

About 2-[2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]phenyl]acetic acid

2-[2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]phenyl]acetic acid (PubChem CID 119218358) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]phenyl]acetic acid
PubChem CID119218358
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name2-[2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)COc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C20H20N2O5/c23-18(22-17-7-2-1-4-14(17)10-19(24)25)12-27-16-6-3-5-15(11-16)21-20(26)13-8-9-13/h1-7,11,13H,8-10,12H2,(H,21,26)(H,22,23)(H,24,25)
InChIKeyAYAXHRJRPHGCPY-UHFFFAOYSA-N
XLogP2.68
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)anilino]ethoxy]phenyl]cyclopropanecarboxamide
CID 55677177
N-[3-[2-(2-hydroxy-5-methylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 60562038
N-[3-[2-(2,2-diphenylethylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55616709
1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]cyclopropane-1-carboxylic acid
CID 75445818
N-[3-[2-oxo-2-[2-(1,2,4-triazol-1-yl)anilino]ethoxy]phenyl]cyclopropanecarboxamide
CID 55618105
N-[3-[(2-phenoxyacetyl)amino]phenyl]piperidine-4-carboxamide
CID 54794430
N-[3-[2-[4-(methylcarbamoylamino)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46545768
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
N-[3-[2-[(3-methyl-2-phenylbutyl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46433039
2-[3-(thiane-4-carbonylamino)phenoxy]acetic acid
CID 120523516
N-[3-[2-(2-methyl-5-methylsulfonylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46480929
3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-N-cyclopropylbenzamide
CID 46603028

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]phenyl]acetic acid (CID 119218358) is 2-[2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]phenyl]acetic acid is O=C(O)Cc1ccccc1NC(=O)COc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of 2-[2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]phenyl]acetic acid?
The InChIKey is AYAXHRJRPHGCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c23-18(22-17-7-2-1-4-14(17)10-19(24)25)12-27-16-6-3-5-15(11-16)21-20(26)13-8-9-13/h1-7,11,13H,8-10,12H2,(H,21,26)(H,22,23)(H,24,25).
What are the key properties of 2-[2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]phenyl]acetic acid?
2-[2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]phenyl]acetic acid has a molecular weight of 368.39 g/mol, XLogP of 2.68, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]phenyl]acetic acid is sourced from PubChem (CID 119218358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).