ethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-3-methyl-2-oxobutanamide;molecular hydrogen

C13H26N2O2 — CID 168880628

IUPACethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-3-methyl-2-oxobutanamide;molecular hydrogen
SMILESC/C=C(CNC(=O)C(=O)C(C)C)\N=C\C.CC.[H][H]
InChIInChI=1S/C11H18N2O2.C2H6.H2/c1-5-9(12-6-2)7-13-11(15)10(14)8(3)4;1-2;/h5-6,8H,7H2,1-4H3,(H,13,15);1-2H3;1H/b9-5-,12-6+;;
InChIKeyDERXXKXDQFJJMR-RLQPUMDASA-N
MW242.36 g/mol
LogP2.59
Rot. Bonds5

About ethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-3-methyl-2-oxobutanamide;molecular hydrogen

ethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-3-methyl-2-oxobutanamide;molecular hydrogen (PubChem CID 168880628) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-3-methyl-2-oxobutanamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-3-methyl-2-oxobutanamide;molecular hydrogen
PubChem CID168880628
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nameethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-3-methyl-2-oxobutanamide;molecular hydrogen
SMILESC/C=C(CNC(=O)C(=O)C(C)C)\N=C\C.CC.[H][H]
InChIInChI=1S/C11H18N2O2.C2H6.H2/c1-5-9(12-6-2)7-13-11(15)10(14)8(3)4;1-2;/h5-6,8H,7H2,1-4H3,(H,13,15);1-2H3;1H/b9-5-,12-6+;;
InChIKeyDERXXKXDQFJJMR-RLQPUMDASA-N
XLogP2.59
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.59
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

ethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-2-oxobutanamide
CID 163373470
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
1-methyl-N-(3-methyl-2-oxobutyl)-2H-pyrazine-5-carboxamide
CID 143818310
N-[(Z)-2-(ethylideneamino)but-2-enyl]-2-oxobutanamide
CID 163373471

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-3-methyl-2-oxobutanamide;molecular hydrogen?
The IUPAC name of ethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-3-methyl-2-oxobutanamide;molecular hydrogen (CID 168880628) is ethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-3-methyl-2-oxobutanamide;molecular hydrogen.
What is the SMILES notation for ethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-3-methyl-2-oxobutanamide;molecular hydrogen?
The canonical SMILES for ethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-3-methyl-2-oxobutanamide;molecular hydrogen is C/C=C(CNC(=O)C(=O)C(C)C)\N=C\C.CC.[H][H].
What is the InChIKey of ethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-3-methyl-2-oxobutanamide;molecular hydrogen?
The InChIKey is DERXXKXDQFJJMR-RLQPUMDASA-N. The full InChI is InChI=1S/C11H18N2O2.C2H6.H2/c1-5-9(12-6-2)7-13-11(15)10(14)8(3)4;1-2;/h5-6,8H,7H2,1-4H3,(H,13,15);1-2H3;1H/b9-5-,12-6+;;.
What are the key properties of ethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-3-methyl-2-oxobutanamide;molecular hydrogen?
ethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-3-methyl-2-oxobutanamide;molecular hydrogen has a molecular weight of 242.36 g/mol, XLogP of 2.59, 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]-3-methyl-2-oxobutanamide;molecular hydrogen is sourced from PubChem (CID 168880628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).