N-tert-butyl-3-(2,6-dimethylanilino)propanamide

C15H24N2O — CID 109031328

IUPACN-tert-butyl-3-(2,6-dimethylanilino)propanamide
SMILESCc1cccc(C)c1NCCC(=O)NC(C)(C)C
InChIInChI=1S/C15H24N2O/c1-11-7-6-8-12(2)14(11)16-10-9-13(18)17-15(3,4)5/h6-8,16H,9-10H2,1-5H3,(H,17,18)
InChIKeyKWYWCLDYYJZEOE-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.02
Rot. Bonds4

About N-tert-butyl-3-(2,6-dimethylanilino)propanamide

N-tert-butyl-3-(2,6-dimethylanilino)propanamide (PubChem CID 109031328) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-tert-butyl-3-(2,6-dimethylanilino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(2,6-dimethylanilino)propanamide
PubChem CID109031328
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-tert-butyl-3-(2,6-dimethylanilino)propanamide
SMILESCc1cccc(C)c1NCCC(=O)NC(C)(C)C
InChIInChI=1S/C15H24N2O/c1-11-7-6-8-12(2)14(11)16-10-9-13(18)17-15(3,4)5/h6-8,16H,9-10H2,1-5H3,(H,17,18)
InChIKeyKWYWCLDYYJZEOE-UHFFFAOYSA-N
XLogP3.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035764
3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109035849
N-tert-butyl-3-(4-methylanilino)propanamide
CID 109031320
2-(2-amino-6-methylanilino)-N-tert-butylacetamide
CID 115550766
3-(2,6-dichloroanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035835
N-(3,5-dichlorophenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035918
3-(2,6-dimethylanilino)-1-(4-methylphenyl)propan-1-one
CID 94278587
3-(2,6-dimethylanilino)-N-(3-phenylpropyl)propanamide
CID 109030823
N-tert-butyl-3-(3-chloroanilino)propanamide
CID 109031344
N-tert-butyl-3-(4-fluoroanilino)propanamide
CID 109031342
N-(4-chloro-2-methylphenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035866
N-tert-butyl-3-(2-ethylanilino)propanamide
CID 109031330

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(2,6-dimethylanilino)propanamide?
The IUPAC name of N-tert-butyl-3-(2,6-dimethylanilino)propanamide (CID 109031328) is N-tert-butyl-3-(2,6-dimethylanilino)propanamide.
What is the SMILES notation for N-tert-butyl-3-(2,6-dimethylanilino)propanamide?
The canonical SMILES for N-tert-butyl-3-(2,6-dimethylanilino)propanamide is Cc1cccc(C)c1NCCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-(2,6-dimethylanilino)propanamide?
The InChIKey is KWYWCLDYYJZEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-7-6-8-12(2)14(11)16-10-9-13(18)17-15(3,4)5/h6-8,16H,9-10H2,1-5H3,(H,17,18).
What are the key properties of N-tert-butyl-3-(2,6-dimethylanilino)propanamide?
N-tert-butyl-3-(2,6-dimethylanilino)propanamide has a molecular weight of 248.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(2,6-dimethylanilino)propanamide is sourced from PubChem (CID 109031328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).