ethane;N-ethenyl-N-[(Z)-prop-1-enyl]heptanamide;1-ethyl-1-methylcyclobutane

C21H41NO — CID 143225959

IUPACethane;N-ethenyl-N-[(Z)-prop-1-enyl]heptanamide;1-ethyl-1-methylcyclobutane
SMILESC=CN(/C=C\C)C(=O)CCCCCC.CC.CCC1(C)CCC1
InChIInChI=1S/C12H21NO.C7H14.C2H6/c1-4-7-8-9-10-12(14)13(6-3)11-5-2;1-3-7(2)5-4-6-7;1-2/h5-6,11H,3-4,7-10H2,1-2H3;3-6H2,1-2H3;1-2H3/b11-5-;;
InChIKeyTZLISJKGNFRSMR-PHTSJKJYSA-N
MW323.57 g/mol
LogP7.08
Rot. Bonds8

About ethane;N-ethenyl-N-[(Z)-prop-1-enyl]heptanamide;1-ethyl-1-methylcyclobutane

ethane;N-ethenyl-N-[(Z)-prop-1-enyl]heptanamide;1-ethyl-1-methylcyclobutane (PubChem CID 143225959) has the molecular formula C21H41NO and a molecular weight of 323.57 g/mol. Its IUPAC name is ethane;N-ethenyl-N-[(Z)-prop-1-enyl]heptanamide;1-ethyl-1-methylcyclobutane.

Molecular Properties

Compound Nameethane;N-ethenyl-N-[(Z)-prop-1-enyl]heptanamide;1-ethyl-1-methylcyclobutane
PubChem CID143225959
Molecular FormulaC21H41NO
Molecular Weight323.57 g/mol
Exact Mass323.32
IUPAC Nameethane;N-ethenyl-N-[(Z)-prop-1-enyl]heptanamide;1-ethyl-1-methylcyclobutane
SMILESC=CN(/C=C\C)C(=O)CCCCCC.CC.CCC1(C)CCC1
InChIInChI=1S/C12H21NO.C7H14.C2H6/c1-4-7-8-9-10-12(14)13(6-3)11-5-2;1-3-7(2)5-4-6-7;1-2/h5-6,11H,3-4,7-10H2,1-2H3;3-6H2,1-2H3;1-2H3/b11-5-;;
InChIKeyTZLISJKGNFRSMR-PHTSJKJYSA-N
XLogP7.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.57
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-ethenyl-N-[(Z)-prop-1-enyl]heptanamide;1-ethyl-1-methylcyclobutane?
The IUPAC name of ethane;N-ethenyl-N-[(Z)-prop-1-enyl]heptanamide;1-ethyl-1-methylcyclobutane (CID 143225959) is ethane;N-ethenyl-N-[(Z)-prop-1-enyl]heptanamide;1-ethyl-1-methylcyclobutane.
What is the SMILES notation for ethane;N-ethenyl-N-[(Z)-prop-1-enyl]heptanamide;1-ethyl-1-methylcyclobutane?
The canonical SMILES for ethane;N-ethenyl-N-[(Z)-prop-1-enyl]heptanamide;1-ethyl-1-methylcyclobutane is C=CN(/C=C\C)C(=O)CCCCCC.CC.CCC1(C)CCC1.
What is the InChIKey of ethane;N-ethenyl-N-[(Z)-prop-1-enyl]heptanamide;1-ethyl-1-methylcyclobutane?
The InChIKey is TZLISJKGNFRSMR-PHTSJKJYSA-N. The full InChI is InChI=1S/C12H21NO.C7H14.C2H6/c1-4-7-8-9-10-12(14)13(6-3)11-5-2;1-3-7(2)5-4-6-7;1-2/h5-6,11H,3-4,7-10H2,1-2H3;3-6H2,1-2H3;1-2H3/b11-5-;;.
What are the key properties of ethane;N-ethenyl-N-[(Z)-prop-1-enyl]heptanamide;1-ethyl-1-methylcyclobutane?
ethane;N-ethenyl-N-[(Z)-prop-1-enyl]heptanamide;1-ethyl-1-methylcyclobutane has a molecular weight of 323.57 g/mol, XLogP of 7.08, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethenyl-N-[(Z)-prop-1-enyl]heptanamide;1-ethyl-1-methylcyclobutane is sourced from PubChem (CID 143225959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).