N-but-2-en-2-yl-N-ethyl-3,3-dimethylbutanamide

C12H23NO — CID 123549027

IUPACN-but-2-en-2-yl-N-ethyl-3,3-dimethylbutanamide
SMILESCC=C(C)N(CC)C(=O)CC(C)(C)C
InChIInChI=1S/C12H23NO/c1-7-10(3)13(8-2)11(14)9-12(4,5)6/h7H,8-9H2,1-6H3
InChIKeyGSDKJFFIANPCCI-UHFFFAOYSA-N
MW197.32 g/mol
LogP3.19
Rot. Bonds3

About N-but-2-en-2-yl-N-ethyl-3,3-dimethylbutanamide

N-but-2-en-2-yl-N-ethyl-3,3-dimethylbutanamide (PubChem CID 123549027) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-but-2-en-2-yl-N-ethyl-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-but-2-en-2-yl-N-ethyl-3,3-dimethylbutanamide
PubChem CID123549027
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-but-2-en-2-yl-N-ethyl-3,3-dimethylbutanamide
SMILESCC=C(C)N(CC)C(=O)CC(C)(C)C
InChIInChI=1S/C12H23NO/c1-7-10(3)13(8-2)11(14)9-12(4,5)6/h7H,8-9H2,1-6H3
InChIKeyGSDKJFFIANPCCI-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-N,N-bis(prop-2-enyl)butanamide
CID 4628432
1-(2,5-Dihydropyrrol-1-yl)-3,3-dimethylbutan-1-one
CID 68152170
2-methyl-N-propan-2-yl-N-prop-1-en-2-ylbutanamide
CID 88580848
1-isobutyl-4,4,6-trimethyl-3,4-dihydropyridin-2(1H)-one
CID 122484646
N-but-2-en-2-yl-N,2,2-trimethylbutanamide
CID 123139486
N-but-2-en-2-yl-N-methylbutanamide
CID 123264495
N-ethyl-N-penta-2,4-dien-2-ylbutanamide
CID 123333115
N,3,3-trimethyl-N-penta-1,3-dien-3-ylbutanamide
CID 123343650
N-hexa-1,3,5-trien-3-yl-N,3,3-trimethylbutanamide
CID 123593342
N-ethyl-N-hexa-1,3,5-trien-3-yl-3,3-dimethylbutanamide
CID 123751413
N-but-2-en-2-yl-N,3-dimethylbutanamide
CID 123906611
N-hepta-1,3,5-trien-3-yl-N,3,3-trimethylbutanamide
CID 123964635

Frequently Asked Questions

What is the IUPAC name of N-but-2-en-2-yl-N-ethyl-3,3-dimethylbutanamide?
The IUPAC name of N-but-2-en-2-yl-N-ethyl-3,3-dimethylbutanamide (CID 123549027) is N-but-2-en-2-yl-N-ethyl-3,3-dimethylbutanamide.
What is the SMILES notation for N-but-2-en-2-yl-N-ethyl-3,3-dimethylbutanamide?
The canonical SMILES for N-but-2-en-2-yl-N-ethyl-3,3-dimethylbutanamide is CC=C(C)N(CC)C(=O)CC(C)(C)C.
What is the InChIKey of N-but-2-en-2-yl-N-ethyl-3,3-dimethylbutanamide?
The InChIKey is GSDKJFFIANPCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-7-10(3)13(8-2)11(14)9-12(4,5)6/h7H,8-9H2,1-6H3.
What are the key properties of N-but-2-en-2-yl-N-ethyl-3,3-dimethylbutanamide?
N-but-2-en-2-yl-N-ethyl-3,3-dimethylbutanamide has a molecular weight of 197.32 g/mol, XLogP of 3.19, 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-ethyl-3,3-dimethylbutanamide is sourced from PubChem (CID 123549027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).