N-but-2-en-2-yl-N,2,2-trimethylbutanamide

C11H21NO — CID 123139486

IUPACN-but-2-en-2-yl-N,2,2-trimethylbutanamide
SMILESCC=C(C)N(C)C(=O)C(C)(C)CC
InChIInChI=1S/C11H21NO/c1-7-9(3)12(6)10(13)11(4,5)8-2/h7H,8H2,1-6H3
InChIKeyKJMNLMRCYZJTNI-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.80
Rot. Bonds3

About N-but-2-en-2-yl-N,2,2-trimethylbutanamide

N-but-2-en-2-yl-N,2,2-trimethylbutanamide (PubChem CID 123139486) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-but-2-en-2-yl-N,2,2-trimethylbutanamide.

Molecular Properties

Compound NameN-but-2-en-2-yl-N,2,2-trimethylbutanamide
PubChem CID123139486
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-but-2-en-2-yl-N,2,2-trimethylbutanamide
SMILESCC=C(C)N(C)C(=O)C(C)(C)CC
InChIInChI=1S/C11H21NO/c1-7-9(3)12(6)10(13)11(4,5)8-2/h7H,8H2,1-6H3
InChIKeyKJMNLMRCYZJTNI-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-but-2-en-2-yl-N-methylacetamide
CID 123872311
N-[(dimethylamino)methyl]-N,2,2-trimethylbutanamide
CID 20588097
3-[but-2-en-2-yl(methyl)amino]but-3-en-2-one
CID 123247186
N-(1-hydroxypropan-2-yl)-N,2,2-trimethylbutanamide
CID 104553489
N-(methoxymethyl)-N,2,2-trimethylbutanamide
CID 58226288
N-butan-2-yl-N-methylacetamide;N,N,2,2-tetramethylbutanamide
CID 158358928
3,3,5,5-tetramethylheptan-4-one
CID 18520351
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2,2-trimethylbutanamide
CID 79111756
(E)-5,5-dimethylhept-2-en-4-one
CID 88902655
N-(3-hydroxybutyl)-N,2,2-trimethylbutanamide
CID 111695856
N-(5-hydroxypentyl)-N,2,2-trimethylbutanamide
CID 107202384
2-[cyclopropyl(2,2-dimethylbutanoyl)amino]acetic acid
CID 62680100

Frequently Asked Questions

What is the IUPAC name of N-but-2-en-2-yl-N,2,2-trimethylbutanamide?
The IUPAC name of N-but-2-en-2-yl-N,2,2-trimethylbutanamide (CID 123139486) is N-but-2-en-2-yl-N,2,2-trimethylbutanamide.
What is the SMILES notation for N-but-2-en-2-yl-N,2,2-trimethylbutanamide?
The canonical SMILES for N-but-2-en-2-yl-N,2,2-trimethylbutanamide is CC=C(C)N(C)C(=O)C(C)(C)CC.
What is the InChIKey of N-but-2-en-2-yl-N,2,2-trimethylbutanamide?
The InChIKey is KJMNLMRCYZJTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-7-9(3)12(6)10(13)11(4,5)8-2/h7H,8H2,1-6H3.
What are the key properties of N-but-2-en-2-yl-N,2,2-trimethylbutanamide?
N-but-2-en-2-yl-N,2,2-trimethylbutanamide has a molecular weight of 183.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-en-2-yl-N,2,2-trimethylbutanamide is sourced from PubChem (CID 123139486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).