2-[[(Z)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide;2-[but-2-enoyl(propyl)amino]-N,N-dimethylbutanamide

C25H46N4O4 — CID 173084675

IUPAC2-[[(Z)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide;2-[but-2-enoyl(propyl)amino]-N,N-dimethylbutanamide
SMILESC/C=C\C(=O)N(CC)C(CC)C(=O)N(C)C.CC=CC(=O)N(CCC)C(CC)C(=O)N(C)C
InChIInChI=1S/C13H24N2O2.C12H22N2O2/c1-6-9-12(16)15(10-7-2)11(8-3)13(17)14(4)5;1-6-9-11(15)14(8-3)10(7-2)12(16)13(4)5/h6,9,11H,7-8,10H2,1-5H3;6,9-10H,7-8H2,1-5H3/b;9-6-
InChIKeyZDHWSRRZUPRQBD-UGCXORAOSA-N
MW466.67 g/mol
LogP2.95
Rot. Bonds11

About 2-[[(Z)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide;2-[but-2-enoyl(propyl)amino]-N,N-dimethylbutanamide

2-[[(Z)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide;2-[but-2-enoyl(propyl)amino]-N,N-dimethylbutanamide (PubChem CID 173084675) has the molecular formula C25H46N4O4 and a molecular weight of 466.67 g/mol. Its IUPAC name is 2-[[(Z)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide;2-[but-2-enoyl(propyl)amino]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name2-[[(Z)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide;2-[but-2-enoyl(propyl)amino]-N,N-dimethylbutanamide
PubChem CID173084675
Molecular FormulaC25H46N4O4
Molecular Weight466.67 g/mol
Exact Mass466.35
IUPAC Name2-[[(Z)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide;2-[but-2-enoyl(propyl)amino]-N,N-dimethylbutanamide
SMILESC/C=C\C(=O)N(CC)C(CC)C(=O)N(C)C.CC=CC(=O)N(CCC)C(CC)C(=O)N(C)C
InChIInChI=1S/C13H24N2O2.C12H22N2O2/c1-6-9-12(16)15(10-7-2)11(8-3)13(17)14(4)5;1-6-9-11(15)14(8-3)10(7-2)12(16)13(4)5/h6,9,11H,7-8,10H2,1-5H3;6,9-10H,7-8H2,1-5H3/b;9-6-
InChIKeyZDHWSRRZUPRQBD-UGCXORAOSA-N
XLogP2.95
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.67
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide;2-[but-2-enoyl(propyl)amino]-N,N-dimethylbutanamide?
The IUPAC name of 2-[[(Z)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide;2-[but-2-enoyl(propyl)amino]-N,N-dimethylbutanamide (CID 173084675) is 2-[[(Z)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide;2-[but-2-enoyl(propyl)amino]-N,N-dimethylbutanamide.
What is the SMILES notation for 2-[[(Z)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide;2-[but-2-enoyl(propyl)amino]-N,N-dimethylbutanamide?
The canonical SMILES for 2-[[(Z)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide;2-[but-2-enoyl(propyl)amino]-N,N-dimethylbutanamide is C/C=C\C(=O)N(CC)C(CC)C(=O)N(C)C.CC=CC(=O)N(CCC)C(CC)C(=O)N(C)C.
What is the InChIKey of 2-[[(Z)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide;2-[but-2-enoyl(propyl)amino]-N,N-dimethylbutanamide?
The InChIKey is ZDHWSRRZUPRQBD-UGCXORAOSA-N. The full InChI is InChI=1S/C13H24N2O2.C12H22N2O2/c1-6-9-12(16)15(10-7-2)11(8-3)13(17)14(4)5;1-6-9-11(15)14(8-3)10(7-2)12(16)13(4)5/h6,9,11H,7-8,10H2,1-5H3;6,9-10H,7-8H2,1-5H3/b;9-6-.
What are the key properties of 2-[[(Z)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide;2-[but-2-enoyl(propyl)amino]-N,N-dimethylbutanamide?
2-[[(Z)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide;2-[but-2-enoyl(propyl)amino]-N,N-dimethylbutanamide has a molecular weight of 466.67 g/mol, XLogP of 2.95, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide;2-[but-2-enoyl(propyl)amino]-N,N-dimethylbutanamide is sourced from PubChem (CID 173084675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).