2-[[4-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]benzoyl]amino]acetic acid

C21H24N2O5 — CID 119220369

IUPAC2-[[4-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]benzoyl]amino]acetic acid
SMILESCC(C)COc1ccc(CC(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)cc1
InChIInChI=1S/C21H24N2O5/c1-14(2)13-28-18-9-3-15(4-10-18)11-19(24)23-17-7-5-16(6-8-17)21(27)22-12-20(25)26/h3-10,14H,11-13H2,1-2H3,(H,22,27)(H,23,24)(H,25,26)
InChIKeyIGIKJAVVOBKYCR-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.72
Rot. Bonds9

About 2-[[4-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]benzoyl]amino]acetic acid

2-[[4-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]benzoyl]amino]acetic acid (PubChem CID 119220369) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-[[4-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]benzoyl]amino]acetic acid
PubChem CID119220369
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name2-[[4-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]benzoyl]amino]acetic acid
SMILESCC(C)COc1ccc(CC(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)cc1
InChIInChI=1S/C21H24N2O5/c1-14(2)13-28-18-9-3-15(4-10-18)11-19(24)23-17-7-5-16(6-8-17)21(27)22-12-20(25)26/h3-10,14H,11-13H2,1-2H3,(H,22,27)(H,23,24)(H,25,26)
InChIKeyIGIKJAVVOBKYCR-UHFFFAOYSA-N
XLogP2.72
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]benzoyl]amino]acetic acid with MolForge

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Related Compounds

2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid
CID 45434962
2-[[2-[4-[[3-(2-methylpropoxy)benzoyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224311
N-benzyl-4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54843854
N-ethyl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17234354
4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-propylbenzamide
CID 54820175
N-(2-methoxyethyl)-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820174
methyl 2-[[4-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]benzoyl]amino]acetate
CID 55396943
N-[4-(butanoylamino)phenyl]-4-(2-methylpropoxy)benzamide
CID 17202512
N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide
CID 4958406
2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid
CID 45434797
4-fluoro-N-[2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55947281
N-tert-butyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820536

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]benzoyl]amino]acetic acid (CID 119220369) is 2-[[4-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]benzoyl]amino]acetic acid is CC(C)COc1ccc(CC(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)cc1.
What is the InChIKey of 2-[[4-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]benzoyl]amino]acetic acid?
The InChIKey is IGIKJAVVOBKYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-14(2)13-28-18-9-3-15(4-10-18)11-19(24)23-17-7-5-16(6-8-17)21(27)22-12-20(25)26/h3-10,14H,11-13H2,1-2H3,(H,22,27)(H,23,24)(H,25,26).
What are the key properties of 2-[[4-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]benzoyl]amino]acetic acid?
2-[[4-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]benzoyl]amino]acetic acid has a molecular weight of 384.43 g/mol, XLogP of 2.72, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]benzoyl]amino]acetic acid is sourced from PubChem (CID 119220369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).