2-[N-(12-methoxydodecanoyl)anilino]acetic acid

C21H33NO4 — CID 19611757

IUPAC2-[N-(12-methoxydodecanoyl)anilino]acetic acid
SMILESCOCCCCCCCCCCCC(=O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C21H33NO4/c1-26-17-13-8-6-4-2-3-5-7-12-16-20(23)22(18-21(24)25)19-14-10-9-11-15-19/h9-11,14-15H,2-8,12-13,16-18H2,1H3,(H,24,25)
InChIKeyMEYRULUFDLVTRU-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.65
Rot. Bonds15

About 2-[N-(12-methoxydodecanoyl)anilino]acetic acid

2-[N-(12-methoxydodecanoyl)anilino]acetic acid (PubChem CID 19611757) has the molecular formula C21H33NO4 and a molecular weight of 363.50 g/mol. Its IUPAC name is 2-[N-(12-methoxydodecanoyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[N-(12-methoxydodecanoyl)anilino]acetic acid
PubChem CID19611757
Molecular FormulaC21H33NO4
Molecular Weight363.50 g/mol
Exact Mass363.24
IUPAC Name2-[N-(12-methoxydodecanoyl)anilino]acetic acid
SMILESCOCCCCCCCCCCCC(=O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C21H33NO4/c1-26-17-13-8-6-4-2-3-5-7-12-16-20(23)22(18-21(24)25)19-14-10-9-11-15-19/h9-11,14-15H,2-8,12-13,16-18H2,1H3,(H,24,25)
InChIKeyMEYRULUFDLVTRU-UHFFFAOYSA-N
XLogP4.65
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-hydroxy-N-(3-methoxypropanoyl)anilino]acetic acid
CID 62590216
2-[N-[4-[2-(sulfanylmethyl)phenoxy]butanoyl]anilino]acetic acid
CID 18793962
2-(N-heptanoyl-4-hydroxyanilino)acetic acid
CID 60832829
2-[N-(3-methylsulfonylpropanoyl)anilino]acetic acid
CID 60830479
2-(4-chloro-N-octanoylanilino)acetic acid
CID 60826659
N-ethyl-N-phenyloctadecanamide
CID 151424183
2-[N-(6-aminohexanoyl)-4-chloroanilino]acetic acid
CID 61162256
3-(N-octanoylanilino)propanoic acid
CID 60831115
heptyl 6-(N-ethylanilino)-6-oxohexanoate
CID 91711017
(2S)-2-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;2-(N-pentadecanoylanilino)acetic acid
CID 68899658
2-(N-(5-amino-4-methylpentanoyl)anilino)acetic acid
CID 82011215
methyl 4-[N-[2-(N-(4-methoxy-4-oxobutanoyl)anilino)ethyl]anilino]-4-oxobutanoate
CID 2858219

Frequently Asked Questions

What is the IUPAC name of 2-[N-(12-methoxydodecanoyl)anilino]acetic acid?
The IUPAC name of 2-[N-(12-methoxydodecanoyl)anilino]acetic acid (CID 19611757) is 2-[N-(12-methoxydodecanoyl)anilino]acetic acid.
What is the SMILES notation for 2-[N-(12-methoxydodecanoyl)anilino]acetic acid?
The canonical SMILES for 2-[N-(12-methoxydodecanoyl)anilino]acetic acid is COCCCCCCCCCCCC(=O)N(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-[N-(12-methoxydodecanoyl)anilino]acetic acid?
The InChIKey is MEYRULUFDLVTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO4/c1-26-17-13-8-6-4-2-3-5-7-12-16-20(23)22(18-21(24)25)19-14-10-9-11-15-19/h9-11,14-15H,2-8,12-13,16-18H2,1H3,(H,24,25).
What are the key properties of 2-[N-(12-methoxydodecanoyl)anilino]acetic acid?
2-[N-(12-methoxydodecanoyl)anilino]acetic acid has a molecular weight of 363.50 g/mol, XLogP of 4.65, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(12-methoxydodecanoyl)anilino]acetic acid is sourced from PubChem (CID 19611757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).