(2E,5E)-4-(methoxymethyl)-N,N,N',N',4-pentamethylhepta-2,5-dienediamide

C14H24N2O3 — CID 88882287

IUPAC(2E,5E)-4-(methoxymethyl)-N,N,N',N',4-pentamethylhepta-2,5-dienediamide
SMILESCOCC(C)(/C=C/C(=O)N(C)C)/C=C/C(=O)N(C)C
InChIInChI=1S/C14H24N2O3/c1-14(11-19-6,9-7-12(17)15(2)3)10-8-13(18)16(4)5/h7-10H,11H2,1-6H3/b9-7+,10-8+
InChIKeyUFUPATTVHCZESI-FIFLTTCUSA-N
MW268.36 g/mol
LogP0.93
Rot. Bonds6

About (2E,5E)-4-(methoxymethyl)-N,N,N',N',4-pentamethylhepta-2,5-dienediamide

(2E,5E)-4-(methoxymethyl)-N,N,N',N',4-pentamethylhepta-2,5-dienediamide (PubChem CID 88882287) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is (2E,5E)-4-(methoxymethyl)-N,N,N',N',4-pentamethylhepta-2,5-dienediamide.

Molecular Properties

Compound Name(2E,5E)-4-(methoxymethyl)-N,N,N',N',4-pentamethylhepta-2,5-dienediamide
PubChem CID88882287
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name(2E,5E)-4-(methoxymethyl)-N,N,N',N',4-pentamethylhepta-2,5-dienediamide
SMILESCOCC(C)(/C=C/C(=O)N(C)C)/C=C/C(=O)N(C)C
InChIInChI=1S/C14H24N2O3/c1-14(11-19-6,9-7-12(17)15(2)3)10-8-13(18)16(4)5/h7-10H,11H2,1-6H3/b9-7+,10-8+
InChIKeyUFUPATTVHCZESI-FIFLTTCUSA-N
XLogP0.93
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (2E,5E)-4-(methoxymethyl)-N,N,N',N',4-pentamethylhepta-2,5-dienediamide?
The IUPAC name of (2E,5E)-4-(methoxymethyl)-N,N,N',N',4-pentamethylhepta-2,5-dienediamide (CID 88882287) is (2E,5E)-4-(methoxymethyl)-N,N,N',N',4-pentamethylhepta-2,5-dienediamide.
What is the SMILES notation for (2E,5E)-4-(methoxymethyl)-N,N,N',N',4-pentamethylhepta-2,5-dienediamide?
The canonical SMILES for (2E,5E)-4-(methoxymethyl)-N,N,N',N',4-pentamethylhepta-2,5-dienediamide is COCC(C)(/C=C/C(=O)N(C)C)/C=C/C(=O)N(C)C.
What is the InChIKey of (2E,5E)-4-(methoxymethyl)-N,N,N',N',4-pentamethylhepta-2,5-dienediamide?
The InChIKey is UFUPATTVHCZESI-FIFLTTCUSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-14(11-19-6,9-7-12(17)15(2)3)10-8-13(18)16(4)5/h7-10H,11H2,1-6H3/b9-7+,10-8+.
What are the key properties of (2E,5E)-4-(methoxymethyl)-N,N,N',N',4-pentamethylhepta-2,5-dienediamide?
(2E,5E)-4-(methoxymethyl)-N,N,N',N',4-pentamethylhepta-2,5-dienediamide has a molecular weight of 268.36 g/mol, XLogP of 0.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-4-(methoxymethyl)-N,N,N',N',4-pentamethylhepta-2,5-dienediamide is sourced from PubChem (CID 88882287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).