2-[[3-(4-propan-2-ylphenoxy)benzoyl]amino]acetic acid

C18H19NO4 — CID 170962981

IUPAC2-[[3-(4-propan-2-ylphenoxy)benzoyl]amino]acetic acid
SMILESCC(C)c1ccc(Oc2cccc(C(=O)NCC(=O)O)c2)cc1
InChIInChI=1S/C18H19NO4/c1-12(2)13-6-8-15(9-7-13)23-16-5-3-4-14(10-16)18(22)19-11-17(20)21/h3-10,12H,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyZWSXFZAFCJPWQJ-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.42
Rot. Bonds6

About 2-[[3-(4-propan-2-ylphenoxy)benzoyl]amino]acetic acid

2-[[3-(4-propan-2-ylphenoxy)benzoyl]amino]acetic acid (PubChem CID 170962981) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 2-[[3-(4-propan-2-ylphenoxy)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(4-propan-2-ylphenoxy)benzoyl]amino]acetic acid
PubChem CID170962981
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name2-[[3-(4-propan-2-ylphenoxy)benzoyl]amino]acetic acid
SMILESCC(C)c1ccc(Oc2cccc(C(=O)NCC(=O)O)c2)cc1
InChIInChI=1S/C18H19NO4/c1-12(2)13-6-8-15(9-7-13)23-16-5-3-4-14(10-16)18(22)19-11-17(20)21/h3-10,12H,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyZWSXFZAFCJPWQJ-UHFFFAOYSA-N
XLogP3.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[3-(4-propan-2-ylphenoxy)benzoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-propan-2-ylbenzoyl)amino]acetic acid
CID 90058974
(4-propan-2-ylphenyl) 2-[(3-methoxybenzoyl)amino]acetate
CID 110671065
2-[[2-[(3-propan-2-yloxybenzoyl)amino]acetyl]amino]acetic acid
CID 62919115
2-[[2-[(4-propan-2-ylbenzoyl)amino]acetyl]amino]acetic acid
CID 43387473
3-(4-bromophenoxy)-N-ethylbenzamide
CID 12941905
2-[[4-(4-chlorophenoxy)benzoyl]amino]acetic acid
CID 66812377
2-[(3-methoxycarbonylbenzoyl)amino]acetic acid
CID 108786639
benzyl 2-[(3-phenoxybenzoyl)amino]acetate
CID 7980431
3-(4-chloro-3-methylphenoxy)-N-(2-methylpropyl)benzamide
CID 12941943
3-(4-cyanophenoxy)-N-(2-hydroxypropyl)benzamide
CID 111469744
N-(2-oxoethyl)-3-phenoxybenzamide
CID 100943832
[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882302

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-propan-2-ylphenoxy)benzoyl]amino]acetic acid?
The IUPAC name of 2-[[3-(4-propan-2-ylphenoxy)benzoyl]amino]acetic acid (CID 170962981) is 2-[[3-(4-propan-2-ylphenoxy)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-(4-propan-2-ylphenoxy)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[3-(4-propan-2-ylphenoxy)benzoyl]amino]acetic acid is CC(C)c1ccc(Oc2cccc(C(=O)NCC(=O)O)c2)cc1.
What is the InChIKey of 2-[[3-(4-propan-2-ylphenoxy)benzoyl]amino]acetic acid?
The InChIKey is ZWSXFZAFCJPWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-12(2)13-6-8-15(9-7-13)23-16-5-3-4-14(10-16)18(22)19-11-17(20)21/h3-10,12H,11H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-[[3-(4-propan-2-ylphenoxy)benzoyl]amino]acetic acid?
2-[[3-(4-propan-2-ylphenoxy)benzoyl]amino]acetic acid has a molecular weight of 313.35 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-propan-2-ylphenoxy)benzoyl]amino]acetic acid is sourced from PubChem (CID 170962981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).