N-[2-[[2-(2-aminoethylamino)-2-oxoethyl]amino]prop-2-enyl]-4-methylpentanamide

C13H26N4O2 — CID 89364485

IUPACN-[2-[[2-(2-aminoethylamino)-2-oxoethyl]amino]prop-2-enyl]-4-methylpentanamide
SMILESC=C(CNC(=O)CCC(C)C)NCC(=O)NCCN
InChIInChI=1S/C13H26N4O2/c1-10(2)4-5-12(18)17-8-11(3)16-9-13(19)15-7-6-14/h10,16H,3-9,14H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyAUYGWPXLHNGCOC-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.28
Rot. Bonds10

About N-[2-[[2-(2-aminoethylamino)-2-oxoethyl]amino]prop-2-enyl]-4-methylpentanamide

N-[2-[[2-(2-aminoethylamino)-2-oxoethyl]amino]prop-2-enyl]-4-methylpentanamide (PubChem CID 89364485) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[2-[[2-(2-aminoethylamino)-2-oxoethyl]amino]prop-2-enyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-[[2-(2-aminoethylamino)-2-oxoethyl]amino]prop-2-enyl]-4-methylpentanamide
PubChem CID89364485
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC NameN-[2-[[2-(2-aminoethylamino)-2-oxoethyl]amino]prop-2-enyl]-4-methylpentanamide
SMILESC=C(CNC(=O)CCC(C)C)NCC(=O)NCCN
InChIInChI=1S/C13H26N4O2/c1-10(2)4-5-12(18)17-8-11(3)16-9-13(19)15-7-6-14/h10,16H,3-9,14H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyAUYGWPXLHNGCOC-UHFFFAOYSA-N
XLogP-0.28
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-aminoethylamino)-2-oxoethyl]amino]prop-2-enyl]-4-methylpentanamide?
The IUPAC name of N-[2-[[2-(2-aminoethylamino)-2-oxoethyl]amino]prop-2-enyl]-4-methylpentanamide (CID 89364485) is N-[2-[[2-(2-aminoethylamino)-2-oxoethyl]amino]prop-2-enyl]-4-methylpentanamide.
What is the SMILES notation for N-[2-[[2-(2-aminoethylamino)-2-oxoethyl]amino]prop-2-enyl]-4-methylpentanamide?
The canonical SMILES for N-[2-[[2-(2-aminoethylamino)-2-oxoethyl]amino]prop-2-enyl]-4-methylpentanamide is C=C(CNC(=O)CCC(C)C)NCC(=O)NCCN.
What is the InChIKey of N-[2-[[2-(2-aminoethylamino)-2-oxoethyl]amino]prop-2-enyl]-4-methylpentanamide?
The InChIKey is AUYGWPXLHNGCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-10(2)4-5-12(18)17-8-11(3)16-9-13(19)15-7-6-14/h10,16H,3-9,14H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of N-[2-[[2-(2-aminoethylamino)-2-oxoethyl]amino]prop-2-enyl]-4-methylpentanamide?
N-[2-[[2-(2-aminoethylamino)-2-oxoethyl]amino]prop-2-enyl]-4-methylpentanamide has a molecular weight of 270.38 g/mol, XLogP of -0.28, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-aminoethylamino)-2-oxoethyl]amino]prop-2-enyl]-4-methylpentanamide is sourced from PubChem (CID 89364485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).