N-acetyl-N-methyl-3-(methylamino)but-3-enamide

C8H14N2O2 — CID 163452035

IUPACN-acetyl-N-methyl-3-(methylamino)but-3-enamide
SMILESC=C(CC(=O)N(C)C(C)=O)NC
InChIInChI=1S/C8H14N2O2/c1-6(9-3)5-8(12)10(4)7(2)11/h9H,1,5H2,2-4H3
InChIKeyBHKGYYAUQXGPSH-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.11
Rot. Bonds3

About N-acetyl-N-methyl-3-(methylamino)but-3-enamide

N-acetyl-N-methyl-3-(methylamino)but-3-enamide (PubChem CID 163452035) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-acetyl-N-methyl-3-(methylamino)but-3-enamide.

Molecular Properties

Compound NameN-acetyl-N-methyl-3-(methylamino)but-3-enamide
PubChem CID163452035
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN-acetyl-N-methyl-3-(methylamino)but-3-enamide
SMILESC=C(CC(=O)N(C)C(C)=O)NC
InChIInChI=1S/C8H14N2O2/c1-6(9-3)5-8(12)10(4)7(2)11/h9H,1,5H2,2-4H3
InChIKeyBHKGYYAUQXGPSH-UHFFFAOYSA-N
XLogP0.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(ethenylamino)but-3-enyl]-N-propan-2-ylpropanamide
CID 130253197
N-(3-aminobut-3-enyl)propanamide
CID 137412908
N-(3-acetamidobut-3-enyl)acetamide
CID 139544160
3-[4-[Butyl(methyl)amino]but-1-en-2-ylamino]propanamide;ethane
CID 142174077
N-[(Z)-3-amino-4-[ethyl(methyl)amino]but-3-enyl]acetamide
CID 142959970
N-ethyl-3-(ethylamino)but-3-enamide
CID 148931324
3-amino-N-(3-oxobutyl)but-3-enamide
CID 155242584
3-amino-N-methylbut-3-enamide
CID 155242589
3-[[(E)-but-2-en-2-yl]-methylamino]-N-formylpropanamide
CID 156707047
3-[formyl(methyl)amino]-N-methylpenta-3,4-dienamide
CID 162682989
(Z)-3-amino-N-methyl-N-propan-2-yl-4-(propan-2-ylamino)but-3-enamide
CID 170356587
N-(3-aminobut-3-enyl)acetamide
CID 174300399

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-methyl-3-(methylamino)but-3-enamide?
The IUPAC name of N-acetyl-N-methyl-3-(methylamino)but-3-enamide (CID 163452035) is N-acetyl-N-methyl-3-(methylamino)but-3-enamide.
What is the SMILES notation for N-acetyl-N-methyl-3-(methylamino)but-3-enamide?
The canonical SMILES for N-acetyl-N-methyl-3-(methylamino)but-3-enamide is C=C(CC(=O)N(C)C(C)=O)NC.
What is the InChIKey of N-acetyl-N-methyl-3-(methylamino)but-3-enamide?
The InChIKey is BHKGYYAUQXGPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6(9-3)5-8(12)10(4)7(2)11/h9H,1,5H2,2-4H3.
What are the key properties of N-acetyl-N-methyl-3-(methylamino)but-3-enamide?
N-acetyl-N-methyl-3-(methylamino)but-3-enamide has a molecular weight of 170.21 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-methyl-3-(methylamino)but-3-enamide is sourced from PubChem (CID 163452035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).