2-[[4-(2-phenylethoxy)benzoyl]amino]acetic acid

C17H17NO4 — CID 66812668

IUPAC2-[[4-(2-phenylethoxy)benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C17H17NO4/c19-16(20)12-18-17(21)14-6-8-15(9-7-14)22-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,18,21)(H,19,20)
InChIKeyKZLMIWJQWGZNSO-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.12
Rot. Bonds7

About 2-[[4-(2-phenylethoxy)benzoyl]amino]acetic acid

2-[[4-(2-phenylethoxy)benzoyl]amino]acetic acid (PubChem CID 66812668) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[[4-(2-phenylethoxy)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(2-phenylethoxy)benzoyl]amino]acetic acid
PubChem CID66812668
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name2-[[4-(2-phenylethoxy)benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C17H17NO4/c19-16(20)12-18-17(21)14-6-8-15(9-7-14)22-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,18,21)(H,19,20)
InChIKeyKZLMIWJQWGZNSO-UHFFFAOYSA-N
XLogP2.12
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-phenylethoxy)-N-[2-[[4-(2-phenylethoxy)benzoyl]amino]phenyl]benzamide
CID 4957348
2-[[4-[4-(3-hydroxyphenyl)butoxy]benzoyl]amino]acetic acid
CID 174532955
4-(2-methoxyethoxy)-N-(2-phenylethyl)benzamide
CID 15943281
N'-(4-chlorobenzoyl)-4-(2-phenylethoxy)benzohydrazide
CID 4956611
4-butoxy-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263738
N-ethyl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide
CID 54823874
2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833308
4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17066999
2-chloro-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide
CID 4956612
N'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide
CID 4956685
N-benzyl-4-oxo-4-[2-[4-(2-phenylethoxy)benzoyl]hydrazinyl]butanamide
CID 4956632
4-butoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
CID 24677699

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-phenylethoxy)benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-(2-phenylethoxy)benzoyl]amino]acetic acid (CID 66812668) is 2-[[4-(2-phenylethoxy)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(2-phenylethoxy)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-(2-phenylethoxy)benzoyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of 2-[[4-(2-phenylethoxy)benzoyl]amino]acetic acid?
The InChIKey is KZLMIWJQWGZNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c19-16(20)12-18-17(21)14-6-8-15(9-7-14)22-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,18,21)(H,19,20).
What are the key properties of 2-[[4-(2-phenylethoxy)benzoyl]amino]acetic acid?
2-[[4-(2-phenylethoxy)benzoyl]amino]acetic acid has a molecular weight of 299.33 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-phenylethoxy)benzoyl]amino]acetic acid is sourced from PubChem (CID 66812668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).