N-butan-2-yl-N-methylacetamide;N,N,2,2-tetramethylbutanamide

C15H32N2O2 — CID 158358928

IUPACN-butan-2-yl-N-methylacetamide;N,N,2,2-tetramethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)C.CCC(C)N(C)C(C)=O
InChIInChI=1S/C8H17NO.C7H15NO/c1-6-8(2,3)7(10)9(4)5;1-5-6(2)8(4)7(3)9/h6H2,1-5H3;6H,5H2,1-4H3
InChIKeyGTFPFGUBSAOBIT-UHFFFAOYSA-N
MW272.43 g/mol
LogP2.77
Rot. Bonds4

About N-butan-2-yl-N-methylacetamide;N,N,2,2-tetramethylbutanamide

N-butan-2-yl-N-methylacetamide;N,N,2,2-tetramethylbutanamide (PubChem CID 158358928) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is N-butan-2-yl-N-methylacetamide;N,N,2,2-tetramethylbutanamide.

Molecular Properties

Compound NameN-butan-2-yl-N-methylacetamide;N,N,2,2-tetramethylbutanamide
PubChem CID158358928
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC NameN-butan-2-yl-N-methylacetamide;N,N,2,2-tetramethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)C.CCC(C)N(C)C(C)=O
InChIInChI=1S/C8H17NO.C7H15NO/c1-6-8(2,3)7(10)9(4)5;1-5-6(2)8(4)7(3)9/h6H2,1-5H3;6H,5H2,1-4H3
InChIKeyGTFPFGUBSAOBIT-UHFFFAOYSA-N
XLogP2.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxypropan-2-yl)-N,2,2-trimethylbutanamide
CID 104553489
N-butan-2-yl-3-chloro-N,2,2-trimethylpropanamide
CID 63679965
2-amino-N-butan-2-yl-N,2-dimethylbutanamide
CID 79797343
N-[(2S)-2-[acetyl(methyl)amino]propyl]-N-methylacetamide
CID 99908303
N-(1-chloropropan-2-yl)-N-methylacetamide
CID 104555726
(dimethylamino)methyl 2,2-dimethylbutanoate;(dimethylamino)methyl 2-methylbutanoate;N,N,2,2-tetramethylbutanamide;N,N,2-trimethylbutanamide
CID 91448089
3-hydroxy-N,N,2,2-tetramethylpropanamide
CID 10510973
N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 112692053
N-(3-hydroxybutyl)-N,2,2-trimethylbutanamide
CID 111695856
N-but-2-en-2-yl-N,2,2-trimethylbutanamide
CID 123139486
N-[(dimethylamino)methyl]-N,2,2-trimethylbutanamide
CID 20588097
3,3-dimethylbutan-2-one;2-methylbutane
CID 91459434

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methylacetamide;N,N,2,2-tetramethylbutanamide?
The IUPAC name of N-butan-2-yl-N-methylacetamide;N,N,2,2-tetramethylbutanamide (CID 158358928) is N-butan-2-yl-N-methylacetamide;N,N,2,2-tetramethylbutanamide.
What is the SMILES notation for N-butan-2-yl-N-methylacetamide;N,N,2,2-tetramethylbutanamide?
The canonical SMILES for N-butan-2-yl-N-methylacetamide;N,N,2,2-tetramethylbutanamide is CCC(C)(C)C(=O)N(C)C.CCC(C)N(C)C(C)=O.
What is the InChIKey of N-butan-2-yl-N-methylacetamide;N,N,2,2-tetramethylbutanamide?
The InChIKey is GTFPFGUBSAOBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C7H15NO/c1-6-8(2,3)7(10)9(4)5;1-5-6(2)8(4)7(3)9/h6H2,1-5H3;6H,5H2,1-4H3.
What are the key properties of N-butan-2-yl-N-methylacetamide;N,N,2,2-tetramethylbutanamide?
N-butan-2-yl-N-methylacetamide;N,N,2,2-tetramethylbutanamide has a molecular weight of 272.43 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-methylacetamide;N,N,2,2-tetramethylbutanamide is sourced from PubChem (CID 158358928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).