N-[3-(dimethylamino)but-3-en-2-yl]acetamide

C8H16N2O — CID 123435703

IUPACN-[3-(dimethylamino)but-3-en-2-yl]acetamide
SMILESC=C(C(C)NC(C)=O)N(C)C
InChIInChI=1S/C8H16N2O/c1-6(9-8(3)11)7(2)10(4)5/h6H,2H2,1,3-5H3,(H,9,11)
InChIKeyFSFNYAKNGUBVNM-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.59
Rot. Bonds3

About N-[3-(dimethylamino)but-3-en-2-yl]acetamide

N-[3-(dimethylamino)but-3-en-2-yl]acetamide (PubChem CID 123435703) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-[3-(dimethylamino)but-3-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)but-3-en-2-yl]acetamide
PubChem CID123435703
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-[3-(dimethylamino)but-3-en-2-yl]acetamide
SMILESC=C(C(C)NC(C)=O)N(C)C
InChIInChI=1S/C8H16N2O/c1-6(9-8(3)11)7(2)10(4)5/h6H,2H2,1,3-5H3,(H,9,11)
InChIKeyFSFNYAKNGUBVNM-UHFFFAOYSA-N
XLogP0.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(diethylamino)-N-propan-2-ylprop-2-enamide
CID 53858218
2-(dimethylamino)-N-propan-2-ylprop-2-enamide
CID 54433315
(Z)-2-[acetyl(methyl)amino]-N-methyl-4-(methylamino)but-3-enamide
CID 59881787
1-(2-Methyl-3-methylidenepiperazin-1-yl)ethanone
CID 68806926
2-(dimethylamino)-N-propylprop-2-enamide
CID 87301841
N-[3-[methyl-[3-(prop-1-en-2-ylamino)propyl]amino]propyl]acetamide
CID 89105810
(2R)-N-[2-(dimethylamino)ethyl]-2-[methyl(propan-2-yl)amino]but-3-enamide
CID 89177252
(2R)-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)but-3-enamide
CID 89177284
(2R)-N-[2-(dimethylamino)ethyl]-2-(methylamino)but-3-enamide
CID 89177285
(2R)-2-(dimethylamino)-N-[2-(dimethylamino)ethyl]but-3-enamide
CID 89263587
(2R)-N-[2-(dimethylamino)ethyl]-2-(propan-2-ylamino)but-3-enamide
CID 89291352
2-(prop-1-en-2-ylamino)-N-propylacetamide
CID 89933848

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)but-3-en-2-yl]acetamide?
The IUPAC name of N-[3-(dimethylamino)but-3-en-2-yl]acetamide (CID 123435703) is N-[3-(dimethylamino)but-3-en-2-yl]acetamide.
What is the SMILES notation for N-[3-(dimethylamino)but-3-en-2-yl]acetamide?
The canonical SMILES for N-[3-(dimethylamino)but-3-en-2-yl]acetamide is C=C(C(C)NC(C)=O)N(C)C.
What is the InChIKey of N-[3-(dimethylamino)but-3-en-2-yl]acetamide?
The InChIKey is FSFNYAKNGUBVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(9-8(3)11)7(2)10(4)5/h6H,2H2,1,3-5H3,(H,9,11).
What are the key properties of N-[3-(dimethylamino)but-3-en-2-yl]acetamide?
N-[3-(dimethylamino)but-3-en-2-yl]acetamide has a molecular weight of 156.23 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)but-3-en-2-yl]acetamide is sourced from PubChem (CID 123435703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).