4-ethenyl-4-(hydroxymethyl)-N,N,N',N'-tetramethylheptanediamide

C14H26N2O3 — CID 91575072

IUPAC4-ethenyl-4-(hydroxymethyl)-N,N,N',N'-tetramethylheptanediamide
SMILESC=CC(CO)(CCC(=O)N(C)C)CCC(=O)N(C)C
InChIInChI=1S/C14H26N2O3/c1-6-14(11-17,9-7-12(18)15(2)3)10-8-13(19)16(4)5/h6,17H,1,7-11H2,2-5H3
InChIKeyWOVKQKXLWGPZGM-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.89
Rot. Bonds8

About 4-ethenyl-4-(hydroxymethyl)-N,N,N',N'-tetramethylheptanediamide

4-ethenyl-4-(hydroxymethyl)-N,N,N',N'-tetramethylheptanediamide (PubChem CID 91575072) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-ethenyl-4-(hydroxymethyl)-N,N,N',N'-tetramethylheptanediamide.

Molecular Properties

Compound Name4-ethenyl-4-(hydroxymethyl)-N,N,N',N'-tetramethylheptanediamide
PubChem CID91575072
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-ethenyl-4-(hydroxymethyl)-N,N,N',N'-tetramethylheptanediamide
SMILESC=CC(CO)(CCC(=O)N(C)C)CCC(=O)N(C)C
InChIInChI=1S/C14H26N2O3/c1-6-14(11-17,9-7-12(18)15(2)3)10-8-13(19)16(4)5/h6,17H,1,7-11H2,2-5H3
InChIKeyWOVKQKXLWGPZGM-UHFFFAOYSA-N
XLogP0.89
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-4-(hydroxymethyl)-N,N,N',N'-tetramethylheptanediamide?
The IUPAC name of 4-ethenyl-4-(hydroxymethyl)-N,N,N',N'-tetramethylheptanediamide (CID 91575072) is 4-ethenyl-4-(hydroxymethyl)-N,N,N',N'-tetramethylheptanediamide.
What is the SMILES notation for 4-ethenyl-4-(hydroxymethyl)-N,N,N',N'-tetramethylheptanediamide?
The canonical SMILES for 4-ethenyl-4-(hydroxymethyl)-N,N,N',N'-tetramethylheptanediamide is C=CC(CO)(CCC(=O)N(C)C)CCC(=O)N(C)C.
What is the InChIKey of 4-ethenyl-4-(hydroxymethyl)-N,N,N',N'-tetramethylheptanediamide?
The InChIKey is WOVKQKXLWGPZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-6-14(11-17,9-7-12(18)15(2)3)10-8-13(19)16(4)5/h6,17H,1,7-11H2,2-5H3.
What are the key properties of 4-ethenyl-4-(hydroxymethyl)-N,N,N',N'-tetramethylheptanediamide?
4-ethenyl-4-(hydroxymethyl)-N,N,N',N'-tetramethylheptanediamide has a molecular weight of 270.37 g/mol, XLogP of 0.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-4-(hydroxymethyl)-N,N,N',N'-tetramethylheptanediamide is sourced from PubChem (CID 91575072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).