3-(4-tert-butyl-N-methylanilino)cyclobutane-1-carboxylic acid

C16H23NO2 — CID 117042841

IUPAC3-(4-tert-butyl-N-methylanilino)cyclobutane-1-carboxylic acid
SMILESCN(c1ccc(C(C)(C)C)cc1)C1CC(C(=O)O)C1
InChIInChI=1S/C16H23NO2/c1-16(2,3)12-5-7-13(8-6-12)17(4)14-9-11(10-14)15(18)19/h5-8,11,14H,9-10H2,1-4H3,(H,18,19)
InChIKeySVDXBTKODJFKTE-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.28
Rot. Bonds3

About 3-(4-tert-butyl-N-methylanilino)cyclobutane-1-carboxylic acid

3-(4-tert-butyl-N-methylanilino)cyclobutane-1-carboxylic acid (PubChem CID 117042841) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(4-tert-butyl-N-methylanilino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-tert-butyl-N-methylanilino)cyclobutane-1-carboxylic acid
PubChem CID117042841
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name3-(4-tert-butyl-N-methylanilino)cyclobutane-1-carboxylic acid
SMILESCN(c1ccc(C(C)(C)C)cc1)C1CC(C(=O)O)C1
InChIInChI=1S/C16H23NO2/c1-16(2,3)12-5-7-13(8-6-12)17(4)14-9-11(10-14)15(18)19/h5-8,11,14H,9-10H2,1-4H3,(H,18,19)
InChIKeySVDXBTKODJFKTE-UHFFFAOYSA-N
XLogP3.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[N-methyl-4-(2-methylpropyl)anilino]cyclobutane-1-carboxylic acid
CID 117042861
N-(4-tert-butylphenyl)-N-methylcyclopropanecarboxamide
CID 69029843
4-(4-tert-butyl-N-methylanilino)cyclohexan-1-one
CID 117029678
3-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]-methylamino]cyclobutane-1-carboxylic acid
CID 70498486
4-N-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine
CID 115149728
3-[benzyl(methyl)amino]cyclobutane-1-carboxylic acid
CID 117038263
4-[N-methyl-4-(trifluoromethyl)anilino]piperidine-1-carboxylic acid
CID 146380644
N-(4-tert-butylphenyl)-N-methylcarbamoyl bromide
CID 115193365
3-[1-benzothiophen-3-yl(methyl)amino]cyclobutane-1-carboxylic acid
CID 117042928
2-(4-tert-butyl-N,2-dimethylanilino)cyclopropane-1-carboxylic acid
CID 117042600
(2S,4S)-N-(4-tert-butylphenyl)-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120625268
N-(4-tert-butylphenyl)-2-(cyclopropylmethylamino)-N-methylacetamide
CID 119746815

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-N-methylanilino)cyclobutane-1-carboxylic acid?
The IUPAC name of 3-(4-tert-butyl-N-methylanilino)cyclobutane-1-carboxylic acid (CID 117042841) is 3-(4-tert-butyl-N-methylanilino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-(4-tert-butyl-N-methylanilino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-(4-tert-butyl-N-methylanilino)cyclobutane-1-carboxylic acid is CN(c1ccc(C(C)(C)C)cc1)C1CC(C(=O)O)C1.
What is the InChIKey of 3-(4-tert-butyl-N-methylanilino)cyclobutane-1-carboxylic acid?
The InChIKey is SVDXBTKODJFKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2,3)12-5-7-13(8-6-12)17(4)14-9-11(10-14)15(18)19/h5-8,11,14H,9-10H2,1-4H3,(H,18,19).
What are the key properties of 3-(4-tert-butyl-N-methylanilino)cyclobutane-1-carboxylic acid?
3-(4-tert-butyl-N-methylanilino)cyclobutane-1-carboxylic acid has a molecular weight of 261.37 g/mol, XLogP of 3.28, 3 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-methylanilino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117042841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).