N,N-diethyl-2,3-dimethylbut-2-enamide

C10H19NO — CID 566252

IUPACN,N-diethyl-2,3-dimethylbut-2-enamide
SMILESCCN(CC)C(=O)C(C)=C(C)C
InChIInChI=1S/C10H19NO/c1-6-11(7-2)10(12)9(5)8(3)4/h6-7H2,1-5H3
InChIKeyGAPQEKVKZDQMFS-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.21
Rot. Bonds3

About N,N-diethyl-2,3-dimethylbut-2-enamide

N,N-diethyl-2,3-dimethylbut-2-enamide (PubChem CID 566252) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N,N-diethyl-2,3-dimethylbut-2-enamide.

Molecular Properties

Compound NameN,N-diethyl-2,3-dimethylbut-2-enamide
PubChem CID566252
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN,N-diethyl-2,3-dimethylbut-2-enamide
SMILESCCN(CC)C(=O)C(C)=C(C)C
InChIInChI=1S/C10H19NO/c1-6-11(7-2)10(12)9(5)8(3)4/h6-7H2,1-5H3
InChIKeyGAPQEKVKZDQMFS-UHFFFAOYSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(diethylamino)-2,3-dimethyl-4-oxobut-2-enoic acid
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CID 173332557
N-ethyl-N-propylacetamide;methane;propane
CID 161155898
N-ethyl-N-(2-oxoethyl)acetamide
CID 23525604
N-(2-aminoethyl)-N-ethylacetamide
CID 23084474
N-(cyanomethyl)-N-ethylacetamide
CID 14023628
1,1,3,3-tetraethylurea;hydrofluoride
CID 175553250
(3Z)-N,N-diethyl-5-methyl-2-methylidenehexa-3,5-dienamide
CID 156853441
N,N-diethylacetamide;(2E,4Z)-2-ethenyl-N,N-diethylhexa-2,4-dienamide
CID 145125978
4-[2-ethoxyethyl(ethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 77017357
acetic acid;N,N-diethylethanamine;dihydrochloride
CID 173065244

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,3-dimethylbut-2-enamide?
The IUPAC name of N,N-diethyl-2,3-dimethylbut-2-enamide (CID 566252) is N,N-diethyl-2,3-dimethylbut-2-enamide.
What is the SMILES notation for N,N-diethyl-2,3-dimethylbut-2-enamide?
The canonical SMILES for N,N-diethyl-2,3-dimethylbut-2-enamide is CCN(CC)C(=O)C(C)=C(C)C.
What is the InChIKey of N,N-diethyl-2,3-dimethylbut-2-enamide?
The InChIKey is GAPQEKVKZDQMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-6-11(7-2)10(12)9(5)8(3)4/h6-7H2,1-5H3.
What are the key properties of N,N-diethyl-2,3-dimethylbut-2-enamide?
N,N-diethyl-2,3-dimethylbut-2-enamide has a molecular weight of 169.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,3-dimethylbut-2-enamide is sourced from PubChem (CID 566252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).