tert-butyl N-[2-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]carbamate

C17H26N2O3 — CID 142869168

IUPACtert-butyl N-[2-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]carbamate
SMILESCCC(C)(NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1C
InChIInChI=1S/C17H26N2O3/c1-7-17(6,19-15(21)22-16(3,4)5)14(20)18-13-11-9-8-10-12(13)2/h8-11H,7H2,1-6H3,(H,18,20)(H,19,21)
InChIKeyMBWKRAIRLDAXOR-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.63
Rot. Bonds4

About tert-butyl N-[2-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]carbamate

tert-butyl N-[2-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]carbamate (PubChem CID 142869168) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]carbamate
PubChem CID142869168
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl N-[2-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]carbamate
SMILESCCC(C)(NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1C
InChIInChI=1S/C17H26N2O3/c1-7-17(6,19-15(21)22-16(3,4)5)14(20)18-13-11-9-8-10-12(13)2/h8-11H,7H2,1-6H3,(H,18,20)(H,19,21)
InChIKeyMBWKRAIRLDAXOR-UHFFFAOYSA-N
XLogP3.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methyl-N-(2-methylphenyl)-2-[[(2S)-2-(2,4,5-trichlorophenoxy)propanoyl]amino]butanamide
CID 41165177
tert-butyl N-[(2R)-4-(2-methylanilino)-4-oxobutan-2-yl]carbamate
CID 95781912
2-bromo-2-chloro-N-(2-methylphenyl)butanamide
CID 20511611
tert-butyl N-[2-(2-methylphenyl)phenyl]carbamate
CID 22288328
2-fluoro-2-methyl-N-(2-methylphenyl)propanamide
CID 130165272
tert-butyl N-[2-[2-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]carbamate
CID 108917414
tert-butyl N-[2-(hydroxymethyl)-3-methylphenyl]carbamate
CID 14368463
tert-butyl N-(2-aminoethyl)-N-[(2-methylphenyl)carbamoyl]carbamate
CID 108894237
tert-butyl N-(2-amino-3-methylphenyl)carbamate
CID 76849218
tert-butyl N-[2-(hydroxymethyl)-2-(2-methylphenyl)butyl]carbamate
CID 106507423
tert-butyl N-[2-[ethyl-[2-(2-methylanilino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]carbamate
CID 18015375
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]carbamate (CID 142869168) is tert-butyl N-[2-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]carbamate is CCC(C)(NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1C.
What is the InChIKey of tert-butyl N-[2-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]carbamate?
The InChIKey is MBWKRAIRLDAXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-7-17(6,19-15(21)22-16(3,4)5)14(20)18-13-11-9-8-10-12(13)2/h8-11H,7H2,1-6H3,(H,18,20)(H,19,21).
What are the key properties of tert-butyl N-[2-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]carbamate?
tert-butyl N-[2-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 142869168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).