N-tert-butyl-N-(3,3-dimethylbutanoyl)-3,3-dimethylbutanamide

C16H31NO2 — CID 89417425

IUPACN-tert-butyl-N-(3,3-dimethylbutanoyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)N(C(=O)CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H31NO2/c1-14(2,3)10-12(18)17(16(7,8)9)13(19)11-15(4,5)6/h10-11H2,1-9H3
InChIKeyGJHCPBRGWHMLAK-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.01
Rot. Bonds2

About N-tert-butyl-N-(3,3-dimethylbutanoyl)-3,3-dimethylbutanamide

N-tert-butyl-N-(3,3-dimethylbutanoyl)-3,3-dimethylbutanamide (PubChem CID 89417425) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-tert-butyl-N-(3,3-dimethylbutanoyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-tert-butyl-N-(3,3-dimethylbutanoyl)-3,3-dimethylbutanamide
PubChem CID89417425
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-tert-butyl-N-(3,3-dimethylbutanoyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)N(C(=O)CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H31NO2/c1-14(2,3)10-12(18)17(16(7,8)9)13(19)11-15(4,5)6/h10-11H2,1-9H3
InChIKeyGJHCPBRGWHMLAK-UHFFFAOYSA-N
XLogP4.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-hydroxy-3,3-dimethylbutanamide
CID 123423819
N-ethyl-N,3,3-trimethylbutanamide
CID 89107590
N-(2-hydroxypropyl)-N,3,3-trimethylbutanamide
CID 62335118
N-cyano-N,3,3-trimethylbutanamide
CID 130684370
N,3,3-trimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 130272316
N-butyl-3,3-dimethyl-N-pentylbutanamide
CID 18736050
bis(3,3-dimethylbutanoic acid);hydrochloride
CID 172719072
3,3-dimethylbutanoic acid;yttrium
CID 59798482
3,3-dimethyl-1-silylbutan-1-one
CID 154090082
CID 159178711
CID 159178711
N-(2-bromocyclohexyl)-N,3,3-trimethylbutanamide
CID 102638498
3,3-dimethyl-1-piperidin-1-ylbutan-1-one;methane;N,N,3,3-tetramethylbutanamide
CID 167604312

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(3,3-dimethylbutanoyl)-3,3-dimethylbutanamide?
The IUPAC name of N-tert-butyl-N-(3,3-dimethylbutanoyl)-3,3-dimethylbutanamide (CID 89417425) is N-tert-butyl-N-(3,3-dimethylbutanoyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-tert-butyl-N-(3,3-dimethylbutanoyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-tert-butyl-N-(3,3-dimethylbutanoyl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)N(C(=O)CC(C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-(3,3-dimethylbutanoyl)-3,3-dimethylbutanamide?
The InChIKey is GJHCPBRGWHMLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-14(2,3)10-12(18)17(16(7,8)9)13(19)11-15(4,5)6/h10-11H2,1-9H3.
What are the key properties of N-tert-butyl-N-(3,3-dimethylbutanoyl)-3,3-dimethylbutanamide?
N-tert-butyl-N-(3,3-dimethylbutanoyl)-3,3-dimethylbutanamide has a molecular weight of 269.43 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(3,3-dimethylbutanoyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 89417425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).