(Z)-N,N,N',N'-tetraethyl-2,3-dimethylbut-2-enediamide

C14H26N2O2 — CID 5366320

IUPAC(Z)-N,N,N',N'-tetraethyl-2,3-dimethylbut-2-enediamide
SMILESCCN(CC)C(=O)/C(C)=C(/C)C(=O)N(CC)CC
InChIInChI=1S/C14H26N2O2/c1-7-15(8-2)13(17)11(5)12(6)14(18)16(9-3)10-4/h7-10H2,1-6H3/b12-11-
InChIKeyNLTRXZFRHRYKSR-QXMHVHEDSA-N
MW254.37 g/mol
LogP2.06
Rot. Bonds6

About (Z)-N,N,N',N'-tetraethyl-2,3-dimethylbut-2-enediamide

(Z)-N,N,N',N'-tetraethyl-2,3-dimethylbut-2-enediamide (PubChem CID 5366320) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (Z)-N,N,N',N'-tetraethyl-2,3-dimethylbut-2-enediamide.

Molecular Properties

Compound Name(Z)-N,N,N',N'-tetraethyl-2,3-dimethylbut-2-enediamide
PubChem CID5366320
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(Z)-N,N,N',N'-tetraethyl-2,3-dimethylbut-2-enediamide
SMILESCCN(CC)C(=O)/C(C)=C(/C)C(=O)N(CC)CC
InChIInChI=1S/C14H26N2O2/c1-7-15(8-2)13(17)11(5)12(6)14(18)16(9-3)10-4/h7-10H2,1-6H3/b12-11-
InChIKeyNLTRXZFRHRYKSR-QXMHVHEDSA-N
XLogP2.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.06
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-2,3-dimethylbut-2-enediamide?
The IUPAC name of (Z)-N,N,N',N'-tetraethyl-2,3-dimethylbut-2-enediamide (CID 5366320) is (Z)-N,N,N',N'-tetraethyl-2,3-dimethylbut-2-enediamide.
What is the SMILES notation for (Z)-N,N,N',N'-tetraethyl-2,3-dimethylbut-2-enediamide?
The canonical SMILES for (Z)-N,N,N',N'-tetraethyl-2,3-dimethylbut-2-enediamide is CCN(CC)C(=O)/C(C)=C(/C)C(=O)N(CC)CC.
What is the InChIKey of (Z)-N,N,N',N'-tetraethyl-2,3-dimethylbut-2-enediamide?
The InChIKey is NLTRXZFRHRYKSR-QXMHVHEDSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-7-15(8-2)13(17)11(5)12(6)14(18)16(9-3)10-4/h7-10H2,1-6H3/b12-11-.
What are the key properties of (Z)-N,N,N',N'-tetraethyl-2,3-dimethylbut-2-enediamide?
(Z)-N,N,N',N'-tetraethyl-2,3-dimethylbut-2-enediamide has a molecular weight of 254.37 g/mol, XLogP of 2.06, 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-2,3-dimethylbut-2-enediamide is sourced from PubChem (CID 5366320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).