3-(4-tert-butyl-N-ethylanilino)-2-methylpropanoic acid

C16H25NO2 — CID 82318878

IUPAC3-(4-tert-butyl-N-ethylanilino)-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-6-17(11-12(2)15(18)19)14-9-7-13(8-10-14)16(3,4)5/h7-10,12H,6,11H2,1-5H3,(H,18,19)
InChIKeyOAUOIHDMYHQSSB-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.53
Rot. Bonds5

About 3-(4-tert-butyl-N-ethylanilino)-2-methylpropanoic acid

3-(4-tert-butyl-N-ethylanilino)-2-methylpropanoic acid (PubChem CID 82318878) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(4-tert-butyl-N-ethylanilino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(4-tert-butyl-N-ethylanilino)-2-methylpropanoic acid
PubChem CID82318878
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-(4-tert-butyl-N-ethylanilino)-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-6-17(11-12(2)15(18)19)14-9-7-13(8-10-14)16(3,4)5/h7-10,12H,6,11H2,1-5H3,(H,18,19)
InChIKeyOAUOIHDMYHQSSB-UHFFFAOYSA-N
XLogP3.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-ethyl-4-propan-2-ylanilino)-2-methylpropanoic acid
CID 82318873
3-(4-tert-butyl-N-prop-2-enylanilino)-2-methylpropanoic acid
CID 82317679
2-methyl-3-[N-propyl-4-(trifluoromethyl)anilino]propanoic acid
CID 82317921
2-methyl-3-[N-(2-methylpropyl)-4-(trifluoromethyl)anilino]propanoic acid
CID 82319389
4-tert-butyl-N,N-diethylaniline
CID 10632068
3-(N-ethylanilino)-2-methyl-1-phenylpropan-1-one
CID 62611635
3-[4-(diethylamino)anilino]-2-methylpropanoic acid
CID 63179842
3-[N-ethyl-4-(4-methylpiperidin-1-yl)anilino]-2-methylpropanoic acid
CID 82318893
3-(N-ethyl-4-methylanilino)-2-methyl-1-phenylpropan-1-one
CID 63483365
2-methyl-3-[N-prop-2-enyl-4-(trifluoromethyl)anilino]propanoic acid
CID 82317719
3-[4-tert-butyl-N-(3-methylbutyl)anilino]propanoic acid
CID 82319128
3-(4-ethyl-N-propylanilino)-2-methylpropanoic acid
CID 82317884

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-N-ethylanilino)-2-methylpropanoic acid?
The IUPAC name of 3-(4-tert-butyl-N-ethylanilino)-2-methylpropanoic acid (CID 82318878) is 3-(4-tert-butyl-N-ethylanilino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(4-tert-butyl-N-ethylanilino)-2-methylpropanoic acid?
The canonical SMILES for 3-(4-tert-butyl-N-ethylanilino)-2-methylpropanoic acid is CCN(CC(C)C(=O)O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butyl-N-ethylanilino)-2-methylpropanoic acid?
The InChIKey is OAUOIHDMYHQSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-6-17(11-12(2)15(18)19)14-9-7-13(8-10-14)16(3,4)5/h7-10,12H,6,11H2,1-5H3,(H,18,19).
What are the key properties of 3-(4-tert-butyl-N-ethylanilino)-2-methylpropanoic acid?
3-(4-tert-butyl-N-ethylanilino)-2-methylpropanoic acid has a molecular weight of 263.38 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-N-ethylanilino)-2-methylpropanoic acid is sourced from PubChem (CID 82318878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).