(Z)-4-amino-N-butyl-5-[[2-(methylamino)-2-oxoethyl]amino]pent-4-enamide

C12H24N4O2 — CID 166765607

IUPAC(Z)-4-amino-N-butyl-5-[[2-(methylamino)-2-oxoethyl]amino]pent-4-enamide
SMILESCCCCNC(=O)CC/C(N)=C/NCC(=O)NC
InChIInChI=1S/C12H24N4O2/c1-3-4-7-16-11(17)6-5-10(13)8-15-9-12(18)14-2/h8,15H,3-7,9,13H2,1-2H3,(H,14,18)(H,16,17)/b10-8-
InChIKeyREGBZFHDCSDFAB-NTMALXAHSA-N
MW256.35 g/mol
LogP-0.18
Rot. Bonds9

About (Z)-4-amino-N-butyl-5-[[2-(methylamino)-2-oxoethyl]amino]pent-4-enamide

(Z)-4-amino-N-butyl-5-[[2-(methylamino)-2-oxoethyl]amino]pent-4-enamide (PubChem CID 166765607) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is (Z)-4-amino-N-butyl-5-[[2-(methylamino)-2-oxoethyl]amino]pent-4-enamide.

Molecular Properties

Compound Name(Z)-4-amino-N-butyl-5-[[2-(methylamino)-2-oxoethyl]amino]pent-4-enamide
PubChem CID166765607
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name(Z)-4-amino-N-butyl-5-[[2-(methylamino)-2-oxoethyl]amino]pent-4-enamide
SMILESCCCCNC(=O)CC/C(N)=C/NCC(=O)NC
InChIInChI=1S/C12H24N4O2/c1-3-4-7-16-11(17)6-5-10(13)8-15-9-12(18)14-2/h8,15H,3-7,9,13H2,1-2H3,(H,14,18)(H,16,17)/b10-8-
InChIKeyREGBZFHDCSDFAB-NTMALXAHSA-N
XLogP-0.18
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-N-butyl-5-[[2-(methylamino)-2-oxoethyl]amino]pent-4-enamide?
The IUPAC name of (Z)-4-amino-N-butyl-5-[[2-(methylamino)-2-oxoethyl]amino]pent-4-enamide (CID 166765607) is (Z)-4-amino-N-butyl-5-[[2-(methylamino)-2-oxoethyl]amino]pent-4-enamide.
What is the SMILES notation for (Z)-4-amino-N-butyl-5-[[2-(methylamino)-2-oxoethyl]amino]pent-4-enamide?
The canonical SMILES for (Z)-4-amino-N-butyl-5-[[2-(methylamino)-2-oxoethyl]amino]pent-4-enamide is CCCCNC(=O)CC/C(N)=C/NCC(=O)NC.
What is the InChIKey of (Z)-4-amino-N-butyl-5-[[2-(methylamino)-2-oxoethyl]amino]pent-4-enamide?
The InChIKey is REGBZFHDCSDFAB-NTMALXAHSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-3-4-7-16-11(17)6-5-10(13)8-15-9-12(18)14-2/h8,15H,3-7,9,13H2,1-2H3,(H,14,18)(H,16,17)/b10-8-.
What are the key properties of (Z)-4-amino-N-butyl-5-[[2-(methylamino)-2-oxoethyl]amino]pent-4-enamide?
(Z)-4-amino-N-butyl-5-[[2-(methylamino)-2-oxoethyl]amino]pent-4-enamide has a molecular weight of 256.35 g/mol, XLogP of -0.18, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-N-butyl-5-[[2-(methylamino)-2-oxoethyl]amino]pent-4-enamide is sourced from PubChem (CID 166765607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).