2-[2-(2-butoxypropanoylamino)phenyl]acetic acid

C15H21NO4 — CID 119218365

IUPAC2-[2-(2-butoxypropanoylamino)phenyl]acetic acid
SMILESCCCCOC(C)C(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C15H21NO4/c1-3-4-9-20-11(2)15(19)16-13-8-6-5-7-12(13)10-14(17)18/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyBVKUDZHEDJEMSA-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.46
Rot. Bonds8

About 2-[2-(2-butoxypropanoylamino)phenyl]acetic acid

2-[2-(2-butoxypropanoylamino)phenyl]acetic acid (PubChem CID 119218365) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[2-(2-butoxypropanoylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-butoxypropanoylamino)phenyl]acetic acid
PubChem CID119218365
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[2-(2-butoxypropanoylamino)phenyl]acetic acid
SMILESCCCCOC(C)C(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C15H21NO4/c1-3-4-9-20-11(2)15(19)16-13-8-6-5-7-12(13)10-14(17)18/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyBVKUDZHEDJEMSA-UHFFFAOYSA-N
XLogP2.46
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butoxy-2-chloro-N-(2-ethylphenyl)acetamide
CID 154388844
2-butoxy-N-(2-carbamothioylphenyl)propanamide
CID 43267700
2-[3-(2-butoxypropanoylamino)phenyl]acetic acid
CID 119351585
N-(2-aminophenyl)-2-(2-butoxyethoxy)propanamide
CID 43127114
2-[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]acetic acid
CID 81088004
2-[2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]phenyl]acetic acid
CID 119218546
butyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
CID 4229096
2-[2-(2-methoxybutanoylamino)phenyl]acetic acid
CID 119353171
N-(2-ethylphenyl)-2-(4-phenylphenoxy)propanamide
CID 19191511
pentyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
CID 4229182
N-(5-amino-2-fluorophenyl)-2-butoxypropanamide
CID 43267510
N-(2-ethylphenyl)-2-methylbutanamide
CID 3140517

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butoxypropanoylamino)phenyl]acetic acid?
The IUPAC name of 2-[2-(2-butoxypropanoylamino)phenyl]acetic acid (CID 119218365) is 2-[2-(2-butoxypropanoylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(2-butoxypropanoylamino)phenyl]acetic acid?
The canonical SMILES for 2-[2-(2-butoxypropanoylamino)phenyl]acetic acid is CCCCOC(C)C(=O)Nc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-(2-butoxypropanoylamino)phenyl]acetic acid?
The InChIKey is BVKUDZHEDJEMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-4-9-20-11(2)15(19)16-13-8-6-5-7-12(13)10-14(17)18/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-[2-(2-butoxypropanoylamino)phenyl]acetic acid?
2-[2-(2-butoxypropanoylamino)phenyl]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butoxypropanoylamino)phenyl]acetic acid is sourced from PubChem (CID 119218365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).