(Z)-N,N,N',N'-tetraethyl-2-methylbut-2-enediamide

C13H24N2O2 — CID 5374131

IUPAC(Z)-N,N,N',N'-tetraethyl-2-methylbut-2-enediamide
SMILESCCN(CC)C(=O)/C=C(/C)C(=O)N(CC)CC
InChIInChI=1S/C13H24N2O2/c1-6-14(7-2)12(16)10-11(5)13(17)15(8-3)9-4/h10H,6-9H2,1-5H3/b11-10-
InChIKeyBNXPTMNCXNMIOQ-KHPPLWFESA-N
MW240.35 g/mol
LogP1.67
Rot. Bonds6

About (Z)-N,N,N',N'-tetraethyl-2-methylbut-2-enediamide

(Z)-N,N,N',N'-tetraethyl-2-methylbut-2-enediamide (PubChem CID 5374131) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (Z)-N,N,N',N'-tetraethyl-2-methylbut-2-enediamide.

Molecular Properties

Compound Name(Z)-N,N,N',N'-tetraethyl-2-methylbut-2-enediamide
PubChem CID5374131
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(Z)-N,N,N',N'-tetraethyl-2-methylbut-2-enediamide
SMILESCCN(CC)C(=O)/C=C(/C)C(=O)N(CC)CC
InChIInChI=1S/C13H24N2O2/c1-6-14(7-2)12(16)10-11(5)13(17)15(8-3)9-4/h10H,6-9H2,1-5H3/b11-10-
InChIKeyBNXPTMNCXNMIOQ-KHPPLWFESA-N
XLogP1.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.67
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)-N,N,N',N'-tetraethyl-2-methylbut-2-enediamide?
The IUPAC name of (Z)-N,N,N',N'-tetraethyl-2-methylbut-2-enediamide (CID 5374131) is (Z)-N,N,N',N'-tetraethyl-2-methylbut-2-enediamide.
What is the SMILES notation for (Z)-N,N,N',N'-tetraethyl-2-methylbut-2-enediamide?
The canonical SMILES for (Z)-N,N,N',N'-tetraethyl-2-methylbut-2-enediamide is CCN(CC)C(=O)/C=C(/C)C(=O)N(CC)CC.
What is the InChIKey of (Z)-N,N,N',N'-tetraethyl-2-methylbut-2-enediamide?
The InChIKey is BNXPTMNCXNMIOQ-KHPPLWFESA-N. The full InChI is InChI=1S/C13H24N2O2/c1-6-14(7-2)12(16)10-11(5)13(17)15(8-3)9-4/h10H,6-9H2,1-5H3/b11-10-.
What are the key properties of (Z)-N,N,N',N'-tetraethyl-2-methylbut-2-enediamide?
(Z)-N,N,N',N'-tetraethyl-2-methylbut-2-enediamide has a molecular weight of 240.35 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N,N',N'-tetraethyl-2-methylbut-2-enediamide is sourced from PubChem (CID 5374131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).