2-amino-N-[3-(tert-butylamino)-3-oxopropyl]pent-4-enamide

C12H23N3O2 — CID 113410062

IUPAC2-amino-N-[3-(tert-butylamino)-3-oxopropyl]pent-4-enamide
SMILESC=CCC(N)C(=O)NCCC(=O)NC(C)(C)C
InChIInChI=1S/C12H23N3O2/c1-5-6-9(13)11(17)14-8-7-10(16)15-12(2,3)4/h5,9H,1,6-8,13H2,2-4H3,(H,14,17)(H,15,16)
InChIKeyMWSYTNPLARHXGQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.31
Rot. Bonds6

About 2-amino-N-[3-(tert-butylamino)-3-oxopropyl]pent-4-enamide

2-amino-N-[3-(tert-butylamino)-3-oxopropyl]pent-4-enamide (PubChem CID 113410062) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-amino-N-[3-(tert-butylamino)-3-oxopropyl]pent-4-enamide.

Molecular Properties

Compound Name2-amino-N-[3-(tert-butylamino)-3-oxopropyl]pent-4-enamide
PubChem CID113410062
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-amino-N-[3-(tert-butylamino)-3-oxopropyl]pent-4-enamide
SMILESC=CCC(N)C(=O)NCCC(=O)NC(C)(C)C
InChIInChI=1S/C12H23N3O2/c1-5-6-9(13)11(17)14-8-7-10(16)15-12(2,3)4/h5,9H,1,6-8,13H2,2-4H3,(H,14,17)(H,15,16)
InChIKeyMWSYTNPLARHXGQ-UHFFFAOYSA-N
XLogP0.31
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-[3-(tert-butylamino)-3-oxopropyl]pent-4-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(tert-butylamino)-3-oxopropyl]pent-4-enamide?
The IUPAC name of 2-amino-N-[3-(tert-butylamino)-3-oxopropyl]pent-4-enamide (CID 113410062) is 2-amino-N-[3-(tert-butylamino)-3-oxopropyl]pent-4-enamide.
What is the SMILES notation for 2-amino-N-[3-(tert-butylamino)-3-oxopropyl]pent-4-enamide?
The canonical SMILES for 2-amino-N-[3-(tert-butylamino)-3-oxopropyl]pent-4-enamide is C=CCC(N)C(=O)NCCC(=O)NC(C)(C)C.
What is the InChIKey of 2-amino-N-[3-(tert-butylamino)-3-oxopropyl]pent-4-enamide?
The InChIKey is MWSYTNPLARHXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-5-6-9(13)11(17)14-8-7-10(16)15-12(2,3)4/h5,9H,1,6-8,13H2,2-4H3,(H,14,17)(H,15,16).
What are the key properties of 2-amino-N-[3-(tert-butylamino)-3-oxopropyl]pent-4-enamide?
2-amino-N-[3-(tert-butylamino)-3-oxopropyl]pent-4-enamide has a molecular weight of 241.33 g/mol, XLogP of 0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(tert-butylamino)-3-oxopropyl]pent-4-enamide is sourced from PubChem (CID 113410062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).