ethane;N-[3-[ethenyl-[(Z)-prop-1-enyl]amino]propyl]propanamide

C13H26N2O — CID 142885602

IUPACethane;N-[3-[ethenyl-[(Z)-prop-1-enyl]amino]propyl]propanamide
SMILESC=CN(/C=C\C)CCCNC(=O)CC.CC
InChIInChI=1S/C11H20N2O.C2H6/c1-4-9-13(6-3)10-7-8-12-11(14)5-2;1-2/h4,6,9H,3,5,7-8,10H2,1-2H3,(H,12,14);1-2H3/b9-4-;
InChIKeyLBPPKCDWTIFURM-WONROIIJSA-N
MW226.36 g/mol
LogP2.91
Rot. Bonds7

About ethane;N-[3-[ethenyl-[(Z)-prop-1-enyl]amino]propyl]propanamide

ethane;N-[3-[ethenyl-[(Z)-prop-1-enyl]amino]propyl]propanamide (PubChem CID 142885602) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is ethane;N-[3-[ethenyl-[(Z)-prop-1-enyl]amino]propyl]propanamide.

Molecular Properties

Compound Nameethane;N-[3-[ethenyl-[(Z)-prop-1-enyl]amino]propyl]propanamide
PubChem CID142885602
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Nameethane;N-[3-[ethenyl-[(Z)-prop-1-enyl]amino]propyl]propanamide
SMILESC=CN(/C=C\C)CCCNC(=O)CC.CC
InChIInChI=1S/C11H20N2O.C2H6/c1-4-9-13(6-3)10-7-8-12-11(14)5-2;1-2/h4,6,9H,3,5,7-8,10H2,1-2H3,(H,12,14);1-2H3/b9-4-;
InChIKeyLBPPKCDWTIFURM-WONROIIJSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[3-[ethenyl-[(Z)-prop-1-enyl]amino]propyl]propanamide?
The IUPAC name of ethane;N-[3-[ethenyl-[(Z)-prop-1-enyl]amino]propyl]propanamide (CID 142885602) is ethane;N-[3-[ethenyl-[(Z)-prop-1-enyl]amino]propyl]propanamide.
What is the SMILES notation for ethane;N-[3-[ethenyl-[(Z)-prop-1-enyl]amino]propyl]propanamide?
The canonical SMILES for ethane;N-[3-[ethenyl-[(Z)-prop-1-enyl]amino]propyl]propanamide is C=CN(/C=C\C)CCCNC(=O)CC.CC.
What is the InChIKey of ethane;N-[3-[ethenyl-[(Z)-prop-1-enyl]amino]propyl]propanamide?
The InChIKey is LBPPKCDWTIFURM-WONROIIJSA-N. The full InChI is InChI=1S/C11H20N2O.C2H6/c1-4-9-13(6-3)10-7-8-12-11(14)5-2;1-2/h4,6,9H,3,5,7-8,10H2,1-2H3,(H,12,14);1-2H3/b9-4-;.
What are the key properties of ethane;N-[3-[ethenyl-[(Z)-prop-1-enyl]amino]propyl]propanamide?
ethane;N-[3-[ethenyl-[(Z)-prop-1-enyl]amino]propyl]propanamide has a molecular weight of 226.36 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[3-[ethenyl-[(Z)-prop-1-enyl]amino]propyl]propanamide is sourced from PubChem (CID 142885602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).