N-methyl-2-(methylamino)-N'-[6-(methylamino)-6-oxohex-2-enyl]pentanediamide

C14H26N4O3 — CID 167293042

IUPACN-methyl-2-(methylamino)-N'-[6-(methylamino)-6-oxohex-2-enyl]pentanediamide
SMILESCNC(=O)CCC=CCNC(=O)CCC(NC)C(=O)NC
InChIInChI=1S/C14H26N4O3/c1-15-11(14(21)17-3)8-9-13(20)18-10-6-4-5-7-12(19)16-2/h4,6,11,15H,5,7-10H2,1-3H3,(H,16,19)(H,17,21)(H,18,20)
InChIKeyKCDXHZZMFWGWDU-UHFFFAOYSA-N
MW298.39 g/mol
LogP-0.70
Rot. Bonds10

About N-methyl-2-(methylamino)-N'-[6-(methylamino)-6-oxohex-2-enyl]pentanediamide

N-methyl-2-(methylamino)-N'-[6-(methylamino)-6-oxohex-2-enyl]pentanediamide (PubChem CID 167293042) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-methyl-2-(methylamino)-N'-[6-(methylamino)-6-oxohex-2-enyl]pentanediamide.

Molecular Properties

Compound NameN-methyl-2-(methylamino)-N'-[6-(methylamino)-6-oxohex-2-enyl]pentanediamide
PubChem CID167293042
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC NameN-methyl-2-(methylamino)-N'-[6-(methylamino)-6-oxohex-2-enyl]pentanediamide
SMILESCNC(=O)CCC=CCNC(=O)CCC(NC)C(=O)NC
InChIInChI=1S/C14H26N4O3/c1-15-11(14(21)17-3)8-9-13(20)18-10-6-4-5-7-12(19)16-2/h4,6,11,15H,5,7-10H2,1-3H3,(H,16,19)(H,17,21)(H,18,20)
InChIKeyKCDXHZZMFWGWDU-UHFFFAOYSA-N
XLogP-0.70
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 N-methyl-2-(methylamino)-N'-[6-(methylamino)-6-oxohex-2-enyl]pentanediamide?
The IUPAC name of N-methyl-2-(methylamino)-N'-[6-(methylamino)-6-oxohex-2-enyl]pentanediamide (CID 167293042) is N-methyl-2-(methylamino)-N'-[6-(methylamino)-6-oxohex-2-enyl]pentanediamide.
What is the SMILES notation for N-methyl-2-(methylamino)-N'-[6-(methylamino)-6-oxohex-2-enyl]pentanediamide?
The canonical SMILES for N-methyl-2-(methylamino)-N'-[6-(methylamino)-6-oxohex-2-enyl]pentanediamide is CNC(=O)CCC=CCNC(=O)CCC(NC)C(=O)NC.
What is the InChIKey of N-methyl-2-(methylamino)-N'-[6-(methylamino)-6-oxohex-2-enyl]pentanediamide?
The InChIKey is KCDXHZZMFWGWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-15-11(14(21)17-3)8-9-13(20)18-10-6-4-5-7-12(19)16-2/h4,6,11,15H,5,7-10H2,1-3H3,(H,16,19)(H,17,21)(H,18,20).
What are the key properties of N-methyl-2-(methylamino)-N'-[6-(methylamino)-6-oxohex-2-enyl]pentanediamide?
N-methyl-2-(methylamino)-N'-[6-(methylamino)-6-oxohex-2-enyl]pentanediamide has a molecular weight of 298.39 g/mol, XLogP of -0.70, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylamino)-N'-[6-(methylamino)-6-oxohex-2-enyl]pentanediamide is sourced from PubChem (CID 167293042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).