2-[[(E)-8-amino-5-methyl-8-oxooct-3-en-4-yl]amino]pentanediamide

C14H26N4O3 — CID 143986843

IUPAC2-[[(E)-8-amino-5-methyl-8-oxooct-3-en-4-yl]amino]pentanediamide
SMILESCC/C=C(/NC(CCC(N)=O)C(N)=O)C(C)CCC(N)=O
InChIInChI=1S/C14H26N4O3/c1-3-4-10(9(2)5-7-12(15)19)18-11(14(17)21)6-8-13(16)20/h4,9,11,18H,3,5-8H2,1-2H3,(H2,15,19)(H2,16,20)(H2,17,21)/b10-4+
InChIKeyISBBBOGPOUQBSR-ONNFQVAWSA-N
MW298.39 g/mol
LogP-0.11
Rot. Bonds11

About 2-[[(E)-8-amino-5-methyl-8-oxooct-3-en-4-yl]amino]pentanediamide

2-[[(E)-8-amino-5-methyl-8-oxooct-3-en-4-yl]amino]pentanediamide (PubChem CID 143986843) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[[(E)-8-amino-5-methyl-8-oxooct-3-en-4-yl]amino]pentanediamide.

Molecular Properties

Compound Name2-[[(E)-8-amino-5-methyl-8-oxooct-3-en-4-yl]amino]pentanediamide
PubChem CID143986843
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name2-[[(E)-8-amino-5-methyl-8-oxooct-3-en-4-yl]amino]pentanediamide
SMILESCC/C=C(/NC(CCC(N)=O)C(N)=O)C(C)CCC(N)=O
InChIInChI=1S/C14H26N4O3/c1-3-4-10(9(2)5-7-12(15)19)18-11(14(17)21)6-8-13(16)20/h4,9,11,18H,3,5-8H2,1-2H3,(H2,15,19)(H2,16,20)(H2,17,21)/b10-4+
InChIKeyISBBBOGPOUQBSR-ONNFQVAWSA-N
XLogP-0.11
TPSA141.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-8-amino-5-methyl-8-oxooct-3-en-4-yl]amino]pentanediamide?
The IUPAC name of 2-[[(E)-8-amino-5-methyl-8-oxooct-3-en-4-yl]amino]pentanediamide (CID 143986843) is 2-[[(E)-8-amino-5-methyl-8-oxooct-3-en-4-yl]amino]pentanediamide.
What is the SMILES notation for 2-[[(E)-8-amino-5-methyl-8-oxooct-3-en-4-yl]amino]pentanediamide?
The canonical SMILES for 2-[[(E)-8-amino-5-methyl-8-oxooct-3-en-4-yl]amino]pentanediamide is CC/C=C(/NC(CCC(N)=O)C(N)=O)C(C)CCC(N)=O.
What is the InChIKey of 2-[[(E)-8-amino-5-methyl-8-oxooct-3-en-4-yl]amino]pentanediamide?
The InChIKey is ISBBBOGPOUQBSR-ONNFQVAWSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-3-4-10(9(2)5-7-12(15)19)18-11(14(17)21)6-8-13(16)20/h4,9,11,18H,3,5-8H2,1-2H3,(H2,15,19)(H2,16,20)(H2,17,21)/b10-4+.
What are the key properties of 2-[[(E)-8-amino-5-methyl-8-oxooct-3-en-4-yl]amino]pentanediamide?
2-[[(E)-8-amino-5-methyl-8-oxooct-3-en-4-yl]amino]pentanediamide has a molecular weight of 298.39 g/mol, XLogP of -0.11, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-8-amino-5-methyl-8-oxooct-3-en-4-yl]amino]pentanediamide is sourced from PubChem (CID 143986843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).