2-[N-[1-(4-methylphenyl)propyl]anilino]acetic acid

C18H21NO2 — CID 65059575

IUPAC2-[N-[1-(4-methylphenyl)propyl]anilino]acetic acid
SMILESCCC(c1ccc(C)cc1)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-3-17(15-11-9-14(2)10-12-15)19(13-18(20)21)16-7-5-4-6-8-16/h4-12,17H,3,13H2,1-2H3,(H,20,21)
InChIKeyNJRSJUFXJXPUHS-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.04
Rot. Bonds6

About 2-[N-[1-(4-methylphenyl)propyl]anilino]acetic acid

2-[N-[1-(4-methylphenyl)propyl]anilino]acetic acid (PubChem CID 65059575) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[N-[1-(4-methylphenyl)propyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[N-[1-(4-methylphenyl)propyl]anilino]acetic acid
PubChem CID65059575
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-[N-[1-(4-methylphenyl)propyl]anilino]acetic acid
SMILESCCC(c1ccc(C)cc1)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-3-17(15-11-9-14(2)10-12-15)19(13-18(20)21)16-7-5-4-6-8-16/h4-12,17H,3,13H2,1-2H3,(H,20,21)
InChIKeyNJRSJUFXJXPUHS-UHFFFAOYSA-N
XLogP4.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[N-[1-(4-fluorophenyl)propyl]anilino]acetic acid
CID 65059146
2-[N-[1-(2-hydroxyphenyl)propyl]anilino]acetic acid
CID 65056725
2-[N-[1-(furan-2-yl)propyl]anilino]acetic acid
CID 65059482
2-[2-(dimethylamino)ethyl-[1-(4-methylphenyl)propyl]amino]acetic acid
CID 107426247
2-[N-[1-(5-fluoro-2-pyridinyl)propyl]anilino]acetic acid
CID 115941688
2-[N-(dihydroxymethyl)anilino]acetic acid
CID 118193516
2-[4-methyl-N-(5-methylhexan-2-yl)anilino]acetic acid
CID 65059313
2-[N-(carboxymethyl)anilino]propanoic acid
CID 66721985
2-[N-(3-methylbutan-2-yl)anilino]acetic acid
CID 65059237
2-[N-[1-(furan-2-yl)ethyl]-4-methylanilino]acetic acid
CID 65059021
2-[carboxymethyl-[1-(4-chlorophenyl)propyl]amino]acetic acid
CID 65065919
N-ethyl-2-hydroxy-2-(4-methylphenyl)-N-phenylacetamide
CID 82134297

Frequently Asked Questions

What is the IUPAC name of 2-[N-[1-(4-methylphenyl)propyl]anilino]acetic acid?
The IUPAC name of 2-[N-[1-(4-methylphenyl)propyl]anilino]acetic acid (CID 65059575) is 2-[N-[1-(4-methylphenyl)propyl]anilino]acetic acid.
What is the SMILES notation for 2-[N-[1-(4-methylphenyl)propyl]anilino]acetic acid?
The canonical SMILES for 2-[N-[1-(4-methylphenyl)propyl]anilino]acetic acid is CCC(c1ccc(C)cc1)N(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-[N-[1-(4-methylphenyl)propyl]anilino]acetic acid?
The InChIKey is NJRSJUFXJXPUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-17(15-11-9-14(2)10-12-15)19(13-18(20)21)16-7-5-4-6-8-16/h4-12,17H,3,13H2,1-2H3,(H,20,21).
What are the key properties of 2-[N-[1-(4-methylphenyl)propyl]anilino]acetic acid?
2-[N-[1-(4-methylphenyl)propyl]anilino]acetic acid has a molecular weight of 283.37 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[1-(4-methylphenyl)propyl]anilino]acetic acid is sourced from PubChem (CID 65059575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).