tert-butyl 2-cyclohexyl-2-(4-methylanilino)acetate

C19H29NO2 — CID 154630207

IUPACtert-butyl 2-cyclohexyl-2-(4-methylanilino)acetate
SMILESCc1ccc(NC(C(=O)OC(C)(C)C)C2CCCCC2)cc1
InChIInChI=1S/C19H29NO2/c1-14-10-12-16(13-11-14)20-17(15-8-6-5-7-9-15)18(21)22-19(2,3)4/h10-13,15,17,20H,5-9H2,1-4H3
InChIKeyFMWODAJSMKKZOT-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.70
Rot. Bonds4

About tert-butyl 2-cyclohexyl-2-(4-methylanilino)acetate

tert-butyl 2-cyclohexyl-2-(4-methylanilino)acetate (PubChem CID 154630207) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is tert-butyl 2-cyclohexyl-2-(4-methylanilino)acetate.

Molecular Properties

Compound Nametert-butyl 2-cyclohexyl-2-(4-methylanilino)acetate
PubChem CID154630207
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Nametert-butyl 2-cyclohexyl-2-(4-methylanilino)acetate
SMILESCc1ccc(NC(C(=O)OC(C)(C)C)C2CCCCC2)cc1
InChIInChI=1S/C19H29NO2/c1-14-10-12-16(13-11-14)20-17(15-8-6-5-7-9-15)18(21)22-19(2,3)4/h10-13,15,17,20H,5-9H2,1-4H3
InChIKeyFMWODAJSMKKZOT-UHFFFAOYSA-N
XLogP4.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2-cyclopentyl-2-(4-methylphenyl)acetate
CID 129363718
2-cyclohexyl-2-(4-methylanilino)-1-pyrrolidin-1-ylethanone
CID 175083337
tert-butyl 2-[(S)-cyclohexyl-[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate
CID 102169340
(2S)-1,2-dicyclohexyl-2-(4-methoxyanilino)ethanone
CID 134950990
4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-2-ylethyl]amino]benzoic acid
CID 69333324
2-anilino-2-cyclohexylacetamide
CID 54889288
2-cyclohexyl-2-(3-methylanilino)acetamide
CID 54892215
tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate
CID 75423323
2-cyclohexyl-2-[(4-methylphenyl)sulfanylamino]acetic acid
CID 143149565
(4-methylphenyl) 2-acetamido-2-cyclopentylacetate
CID 47126836
tert-butyl 2-cyclopentylpropanoate
CID 142496420
tert-butyl 3-cycloheptyl-3-hydroxy-2-methylpropanoate
CID 66338919

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-cyclohexyl-2-(4-methylanilino)acetate?
The IUPAC name of tert-butyl 2-cyclohexyl-2-(4-methylanilino)acetate (CID 154630207) is tert-butyl 2-cyclohexyl-2-(4-methylanilino)acetate.
What is the SMILES notation for tert-butyl 2-cyclohexyl-2-(4-methylanilino)acetate?
The canonical SMILES for tert-butyl 2-cyclohexyl-2-(4-methylanilino)acetate is Cc1ccc(NC(C(=O)OC(C)(C)C)C2CCCCC2)cc1.
What is the InChIKey of tert-butyl 2-cyclohexyl-2-(4-methylanilino)acetate?
The InChIKey is FMWODAJSMKKZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-14-10-12-16(13-11-14)20-17(15-8-6-5-7-9-15)18(21)22-19(2,3)4/h10-13,15,17,20H,5-9H2,1-4H3.
What are the key properties of tert-butyl 2-cyclohexyl-2-(4-methylanilino)acetate?
tert-butyl 2-cyclohexyl-2-(4-methylanilino)acetate has a molecular weight of 303.45 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-cyclohexyl-2-(4-methylanilino)acetate is sourced from PubChem (CID 154630207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).