(Z)-2-butyl-N,N,N',N'-tetraethylbut-2-enediamide

C16H30N2O2 — CID 5375940

IUPAC(Z)-2-butyl-N,N,N',N'-tetraethylbut-2-enediamide
SMILESCCCC/C(=C/C(=O)N(CC)CC)C(=O)N(CC)CC
InChIInChI=1S/C16H30N2O2/c1-6-11-12-14(16(20)18(9-4)10-5)13-15(19)17(7-2)8-3/h13H,6-12H2,1-5H3/b14-13-
InChIKeyDLPFVDOODFAHGW-YPKPFQOOSA-N
MW282.43 g/mol
LogP2.84
Rot. Bonds9

About (Z)-2-butyl-N,N,N',N'-tetraethylbut-2-enediamide

(Z)-2-butyl-N,N,N',N'-tetraethylbut-2-enediamide (PubChem CID 5375940) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (Z)-2-butyl-N,N,N',N'-tetraethylbut-2-enediamide.

Molecular Properties

Compound Name(Z)-2-butyl-N,N,N',N'-tetraethylbut-2-enediamide
PubChem CID5375940
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name(Z)-2-butyl-N,N,N',N'-tetraethylbut-2-enediamide
SMILESCCCC/C(=C/C(=O)N(CC)CC)C(=O)N(CC)CC
InChIInChI=1S/C16H30N2O2/c1-6-11-12-14(16(20)18(9-4)10-5)13-15(19)17(7-2)8-3/h13H,6-12H2,1-5H3/b14-13-
InChIKeyDLPFVDOODFAHGW-YPKPFQOOSA-N
XLogP2.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (Z)-2-butyl-N,N,N',N'-tetraethylbut-2-enediamide?
The IUPAC name of (Z)-2-butyl-N,N,N',N'-tetraethylbut-2-enediamide (CID 5375940) is (Z)-2-butyl-N,N,N',N'-tetraethylbut-2-enediamide.
What is the SMILES notation for (Z)-2-butyl-N,N,N',N'-tetraethylbut-2-enediamide?
The canonical SMILES for (Z)-2-butyl-N,N,N',N'-tetraethylbut-2-enediamide is CCCC/C(=C/C(=O)N(CC)CC)C(=O)N(CC)CC.
What is the InChIKey of (Z)-2-butyl-N,N,N',N'-tetraethylbut-2-enediamide?
The InChIKey is DLPFVDOODFAHGW-YPKPFQOOSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-6-11-12-14(16(20)18(9-4)10-5)13-15(19)17(7-2)8-3/h13H,6-12H2,1-5H3/b14-13-.
What are the key properties of (Z)-2-butyl-N,N,N',N'-tetraethylbut-2-enediamide?
(Z)-2-butyl-N,N,N',N'-tetraethylbut-2-enediamide has a molecular weight of 282.43 g/mol, XLogP of 2.84, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-butyl-N,N,N',N'-tetraethylbut-2-enediamide is sourced from PubChem (CID 5375940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).