N-[(Z)-2-[ethyl(methyl)amino]but-2-enyl]-2-oxobutanamide

C11H20N2O2 — CID 168919620

IUPACN-[(Z)-2-[ethyl(methyl)amino]but-2-enyl]-2-oxobutanamide
SMILESC/C=C(/CNC(=O)C(=O)CC)N(C)CC
InChIInChI=1S/C11H20N2O2/c1-5-9(13(4)7-3)8-12-11(15)10(14)6-2/h5H,6-8H2,1-4H3,(H,12,15)/b9-5-
InChIKeyKGKOHKLGADVAIE-UITAMQMPSA-N
MW212.29 g/mol
LogP0.94
Rot. Bonds6

About N-[(Z)-2-[ethyl(methyl)amino]but-2-enyl]-2-oxobutanamide

N-[(Z)-2-[ethyl(methyl)amino]but-2-enyl]-2-oxobutanamide (PubChem CID 168919620) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-[(Z)-2-[ethyl(methyl)amino]but-2-enyl]-2-oxobutanamide.

Molecular Properties

Compound NameN-[(Z)-2-[ethyl(methyl)amino]but-2-enyl]-2-oxobutanamide
PubChem CID168919620
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-[(Z)-2-[ethyl(methyl)amino]but-2-enyl]-2-oxobutanamide
SMILESC/C=C(/CNC(=O)C(=O)CC)N(C)CC
InChIInChI=1S/C11H20N2O2/c1-5-9(13(4)7-3)8-12-11(15)10(14)6-2/h5H,6-8H2,1-4H3,(H,12,15)/b9-5-
InChIKeyKGKOHKLGADVAIE-UITAMQMPSA-N
XLogP0.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[2-(methylamino)prop-2-enyl]butanamide
CID 90398268
(2S)-2-amino-N-[(2S)-1-[[(E)-but-2-en-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 138496074
ethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-2-oxobutanamide
CID 163373470
N-[(Z)-2-[ethyl(methyl)amino]but-2-enyl]-2-oxobutanamide;molecular hydrogen
CID 168919619
2-(methylamino)-N-[2-(2-oxopropylamino)prop-2-enyl]acetamide
CID 169836827
2-(methylamino)-N-[2-oxo-2-[2-(2-oxopropylamino)prop-2-enylamino]ethyl]acetamide
CID 169862015
N-methyl-2-(methylamino)-N-[2-[methyl(2-oxopropyl)amino]prop-2-enyl]acetamide
CID 172602560
N-[2-[(3-methyl-2-oxobutyl)amino]prop-2-enyl]-2-(propan-2-ylamino)acetamide
CID 174253151
N-(3-amino-3-methyl-2-oxobutyl)-N-methyl-2-(prop-1-en-2-ylamino)acetamide;ethane
CID 177970069
N-(3-amino-3-methyl-2-oxobutyl)-N-methyl-2-(prop-1-en-2-ylamino)acetamide
CID 177970070
N-methyl-N-(3-methyl-2-oxobutyl)-2-(prop-1-en-2-ylamino)acetamide
CID 177970125
ethane;N-methyl-N-(3-methyl-2-oxobutyl)-2-(prop-1-en-2-ylamino)acetamide
CID 177970277

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-[ethyl(methyl)amino]but-2-enyl]-2-oxobutanamide?
The IUPAC name of N-[(Z)-2-[ethyl(methyl)amino]but-2-enyl]-2-oxobutanamide (CID 168919620) is N-[(Z)-2-[ethyl(methyl)amino]but-2-enyl]-2-oxobutanamide.
What is the SMILES notation for N-[(Z)-2-[ethyl(methyl)amino]but-2-enyl]-2-oxobutanamide?
The canonical SMILES for N-[(Z)-2-[ethyl(methyl)amino]but-2-enyl]-2-oxobutanamide is C/C=C(/CNC(=O)C(=O)CC)N(C)CC.
What is the InChIKey of N-[(Z)-2-[ethyl(methyl)amino]but-2-enyl]-2-oxobutanamide?
The InChIKey is KGKOHKLGADVAIE-UITAMQMPSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-5-9(13(4)7-3)8-12-11(15)10(14)6-2/h5H,6-8H2,1-4H3,(H,12,15)/b9-5-.
What are the key properties of N-[(Z)-2-[ethyl(methyl)amino]but-2-enyl]-2-oxobutanamide?
N-[(Z)-2-[ethyl(methyl)amino]but-2-enyl]-2-oxobutanamide has a molecular weight of 212.29 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-[ethyl(methyl)amino]but-2-enyl]-2-oxobutanamide is sourced from PubChem (CID 168919620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).