ethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-2-oxobutanamide

C14H28N2O2 — CID 163373470

IUPACethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-2-oxobutanamide
SMILESC/C=C(CNC(=O)C(=O)CC)\N=C\C.CC.CC
InChIInChI=1S/C10H16N2O2.2C2H6/c1-4-8(11-6-3)7-12-10(14)9(13)5-2;2*1-2/h4,6H,5,7H2,1-3H3,(H,12,14);2*1-2H3/b8-4-,11-6+;;
InChIKeyJCQBCSSQZKPVTA-LAPSLEFRSA-N
MW256.39 g/mol
LogP3.13
Rot. Bonds5

About ethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-2-oxobutanamide

ethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-2-oxobutanamide (PubChem CID 163373470) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is ethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-2-oxobutanamide.

Molecular Properties

Compound Nameethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-2-oxobutanamide
PubChem CID163373470
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nameethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-2-oxobutanamide
SMILESC/C=C(CNC(=O)C(=O)CC)\N=C\C.CC.CC
InChIInChI=1S/C10H16N2O2.2C2H6/c1-4-8(11-6-3)7-12-10(14)9(13)5-2;2*1-2/h4,6H,5,7H2,1-3H3,(H,12,14);2*1-2H3/b8-4-,11-6+;;
InChIKeyJCQBCSSQZKPVTA-LAPSLEFRSA-N
XLogP3.13
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(ethylideneamino)-2-(methylideneamino)prop-2-enyl]butanamide
CID 123142341
N-[2-(prop-2-enylideneamino)prop-2-enyl]butanamide
CID 143158206
ethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-3-methyl-2-oxobutanamide
CID 166487932
N-[(Z)-2-(ethylideneamino)but-2-enyl]-3-methyl-2-oxobutanamide
CID 166487933
ethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-3-methyl-2-oxobutanamide;molecular hydrogen
CID 168880628
N-[(Z)-2-[ethyl(methyl)amino]but-2-enyl]-2-oxobutanamide;molecular hydrogen
CID 168919619
N-[(Z)-2-(ethylideneamino)but-2-enyl]-2-oxobutanamide
CID 163373471
N-[(Z)-2-[ethyl(methyl)amino]but-2-enyl]-2-oxobutanamide
CID 168919620

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-2-oxobutanamide?
The IUPAC name of ethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-2-oxobutanamide (CID 163373470) is ethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-2-oxobutanamide.
What is the SMILES notation for ethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-2-oxobutanamide?
The canonical SMILES for ethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-2-oxobutanamide is C/C=C(CNC(=O)C(=O)CC)\N=C\C.CC.CC.
What is the InChIKey of ethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-2-oxobutanamide?
The InChIKey is JCQBCSSQZKPVTA-LAPSLEFRSA-N. The full InChI is InChI=1S/C10H16N2O2.2C2H6/c1-4-8(11-6-3)7-12-10(14)9(13)5-2;2*1-2/h4,6H,5,7H2,1-3H3,(H,12,14);2*1-2H3/b8-4-,11-6+;;.
What are the key properties of ethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-2-oxobutanamide?
ethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-2-oxobutanamide has a molecular weight of 256.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-2-oxobutanamide is sourced from PubChem (CID 163373470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).