2-[2-(2-methoxycarbonyl-4-phenylanilino)-2-oxoethoxy]acetic acid

C18H17NO6 — CID 51040149

IUPAC2-[2-(2-methoxycarbonyl-4-phenylanilino)-2-oxoethoxy]acetic acid
SMILESCOC(=O)c1cc(-c2ccccc2)ccc1NC(=O)COCC(=O)O
InChIInChI=1S/C18H17NO6/c1-24-18(23)14-9-13(12-5-3-2-4-6-12)7-8-15(14)19-16(20)10-25-11-17(21)22/h2-9H,10-11H2,1H3,(H,19,20)(H,21,22)
InChIKeyXTGSDYLQAQTZHU-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.18
Rot. Bonds7

About 2-[2-(2-methoxycarbonyl-4-phenylanilino)-2-oxoethoxy]acetic acid

2-[2-(2-methoxycarbonyl-4-phenylanilino)-2-oxoethoxy]acetic acid (PubChem CID 51040149) has the molecular formula C18H17NO6 and a molecular weight of 343.34 g/mol. Its IUPAC name is 2-[2-(2-methoxycarbonyl-4-phenylanilino)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methoxycarbonyl-4-phenylanilino)-2-oxoethoxy]acetic acid
PubChem CID51040149
Molecular FormulaC18H17NO6
Molecular Weight343.34 g/mol
Exact Mass343.11
IUPAC Name2-[2-(2-methoxycarbonyl-4-phenylanilino)-2-oxoethoxy]acetic acid
SMILESCOC(=O)c1cc(-c2ccccc2)ccc1NC(=O)COCC(=O)O
InChIInChI=1S/C18H17NO6/c1-24-18(23)14-9-13(12-5-3-2-4-6-12)7-8-15(14)19-16(20)10-25-11-17(21)22/h2-9H,10-11H2,1H3,(H,19,20)(H,21,22)
InChIKeyXTGSDYLQAQTZHU-UHFFFAOYSA-N
XLogP2.18
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-chloro-2-methoxycarbonylanilino)-2-oxoethoxy]acetic acid
CID 51039954
methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate
CID 1183013
2-[2-(2-ethoxycarbonylanilino)-2-oxoethoxy]acetic acid
CID 60662085
methyl 3-[(2-phenylmethoxyacetyl)amino]naphthalene-2-carboxylate
CID 55784858
2-[2-(2-chloro-4-methoxycarbonylanilino)-2-oxoethoxy]acetic acid
CID 67165862
5-phenyl-2-(propanoylamino)benzoic acid
CID 155717934
methyl 5-chloro-2-[(2-ethoxyacetyl)amino]benzoate
CID 11425737
2-[2-(2-methoxy-4-methylanilino)-2-oxoethoxy]acetic acid
CID 61328811
2-[2-[2-(dimethylamino)anilino]-2-oxoethoxy]acetic acid
CID 61326887
4-(2-methoxycarbonyl-4-methylanilino)-4-oxobutanoic acid
CID 54867962
methyl 3-acetamido-6-phenylnaphthalene-2-carboxylate
CID 58646768
2-acetamido-5-phenylbenzoic acid
CID 70700127

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxycarbonyl-4-phenylanilino)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(2-methoxycarbonyl-4-phenylanilino)-2-oxoethoxy]acetic acid (CID 51040149) is 2-[2-(2-methoxycarbonyl-4-phenylanilino)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(2-methoxycarbonyl-4-phenylanilino)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(2-methoxycarbonyl-4-phenylanilino)-2-oxoethoxy]acetic acid is COC(=O)c1cc(-c2ccccc2)ccc1NC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-(2-methoxycarbonyl-4-phenylanilino)-2-oxoethoxy]acetic acid?
The InChIKey is XTGSDYLQAQTZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO6/c1-24-18(23)14-9-13(12-5-3-2-4-6-12)7-8-15(14)19-16(20)10-25-11-17(21)22/h2-9H,10-11H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-[2-(2-methoxycarbonyl-4-phenylanilino)-2-oxoethoxy]acetic acid?
2-[2-(2-methoxycarbonyl-4-phenylanilino)-2-oxoethoxy]acetic acid has a molecular weight of 343.34 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxycarbonyl-4-phenylanilino)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 51040149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).