N-acetyl-N-[3-(diacetylamino)-3-methylbutan-2-yl]-2,2-dimethylpropanamide

C16H28N2O4 — CID 159793782

IUPACN-acetyl-N-[3-(diacetylamino)-3-methylbutan-2-yl]-2,2-dimethylpropanamide
SMILESCC(=O)N(C(=O)C(C)(C)C)C(C)C(C)(C)N(C(C)=O)C(C)=O
InChIInChI=1S/C16H28N2O4/c1-10(16(8,9)18(12(3)20)13(4)21)17(11(2)19)14(22)15(5,6)7/h10H,1-9H3
InChIKeyNIXFJDLDRYWWDM-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.97
Rot. Bonds3

About N-acetyl-N-[3-(diacetylamino)-3-methylbutan-2-yl]-2,2-dimethylpropanamide

N-acetyl-N-[3-(diacetylamino)-3-methylbutan-2-yl]-2,2-dimethylpropanamide (PubChem CID 159793782) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-acetyl-N-[3-(diacetylamino)-3-methylbutan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-acetyl-N-[3-(diacetylamino)-3-methylbutan-2-yl]-2,2-dimethylpropanamide
PubChem CID159793782
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC NameN-acetyl-N-[3-(diacetylamino)-3-methylbutan-2-yl]-2,2-dimethylpropanamide
SMILESCC(=O)N(C(=O)C(C)(C)C)C(C)C(C)(C)N(C(C)=O)C(C)=O
InChIInChI=1S/C16H28N2O4/c1-10(16(8,9)18(12(3)20)13(4)21)17(11(2)19)14(22)15(5,6)7/h10H,1-9H3
InChIKeyNIXFJDLDRYWWDM-UHFFFAOYSA-N
XLogP1.97
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]acetamide
CID 58468946
N,N-ditert-butyl-2,2-dimethylpropanamide
CID 58613636
N-[(2S)-3,3-dimethylbutan-2-yl]-N-ethylacetamide
CID 126737316
N-acetyl-N-tert-butyl-N'-(2,2-dimethylpropanoyl)-N',2,2-trimethylpentanediamide
CID 126481628
N-acetyl-N-(1-aminopropan-2-yl)acetamide
CID 71330425
N-acetyl-N-tert-butyl-2-ethyl-2-hydroxybutanamide
CID 145453252
N-(cyclopropylmethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]-2,2-dimethylpropanamide
CID 146435919
N-butan-2-yl-N-methylacetamide;N,N,2,2-tetramethylbutanamide
CID 158358928
N-(iodomethyl)-2,2-dimethyl-N-(2-methylpropyl)propanamide
CID 130443735
3,3-dimethylbutan-2-one;2-methylbutane
CID 91459434
3,5,5,6-tetramethyl-4-methylideneheptan-2-one
CID 141091674
N-tert-butyl-N,2,2-trimethylpropanamide;bis(2,2-dimethylpropane);methane;2,2,4,4-tetramethylpentan-3-one
CID 158424293

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[3-(diacetylamino)-3-methylbutan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-acetyl-N-[3-(diacetylamino)-3-methylbutan-2-yl]-2,2-dimethylpropanamide (CID 159793782) is N-acetyl-N-[3-(diacetylamino)-3-methylbutan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-acetyl-N-[3-(diacetylamino)-3-methylbutan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-acetyl-N-[3-(diacetylamino)-3-methylbutan-2-yl]-2,2-dimethylpropanamide is CC(=O)N(C(=O)C(C)(C)C)C(C)C(C)(C)N(C(C)=O)C(C)=O.
What is the InChIKey of N-acetyl-N-[3-(diacetylamino)-3-methylbutan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is NIXFJDLDRYWWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-10(16(8,9)18(12(3)20)13(4)21)17(11(2)19)14(22)15(5,6)7/h10H,1-9H3.
What are the key properties of N-acetyl-N-[3-(diacetylamino)-3-methylbutan-2-yl]-2,2-dimethylpropanamide?
N-acetyl-N-[3-(diacetylamino)-3-methylbutan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 312.41 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[3-(diacetylamino)-3-methylbutan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 159793782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).