2-(3-aminoprop-1-en-2-ylamino)-N-[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]prop-2-enyl]acetamide

C14H25N5O2 — CID 144630094

About 2-(3-aminoprop-1-en-2-ylamino)-N-[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]prop-2-enyl]acetamide

2-(3-aminoprop-1-en-2-ylamino)-N-[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]prop-2-enyl]acetamide (PubChem CID 144630094) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-(3-aminoprop-1-en-2-ylamino)-N-[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]prop-2-enyl]acetamide.

Molecular Properties

• Compound Name: 2-(3-aminoprop-1-en-2-ylamino)-N-[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]prop-2-enyl]acetamide
• PubChem CID: 144630094
• Molecular Formula: C14H25N5O2
• Molecular Weight: 295.39 g/mol
• Exact Mass: 295.20
• IUPAC Name: 2-(3-aminoprop-1-en-2-ylamino)-N-[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]prop-2-enyl]acetamide
• SMILES: C=C(C)CNC(=O)CNC(=C)CNC(=O)CNC(=C)CN
• InChI: InChI=1S/C14H25N5O2/c1-10(2)6-18-13(20)9-17-12(4)7-19-14(21)8-16-11(3)5-15/h16-17H,1,3-9,15H2,2H3,(H,18,20)(H,19,21)
• InChIKey: NBRKFXNIKATTPF-UHFFFAOYSA-N
• XLogP: -1.04
• TPSA: 108.28 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	295.39
LogP ≤ 5	-1.04
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-en-2-ylamino)-N-[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]prop-2-enyl]acetamide?

The IUPAC name of 2-(3-aminoprop-1-en-2-ylamino)-N-[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]prop-2-enyl]acetamide (CID 144630094) is 2-(3-aminoprop-1-en-2-ylamino)-N-[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]prop-2-enyl]acetamide.

What is the SMILES notation for 2-(3-aminoprop-1-en-2-ylamino)-N-[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]prop-2-enyl]acetamide?

The canonical SMILES for 2-(3-aminoprop-1-en-2-ylamino)-N-[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]prop-2-enyl]acetamide is C=C(C)CNC(=O)CNC(=C)CNC(=O)CNC(=C)CN.

What is the InChIKey of 2-(3-aminoprop-1-en-2-ylamino)-N-[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]prop-2-enyl]acetamide?

The InChIKey is NBRKFXNIKATTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-10(2)6-18-13(20)9-17-12(4)7-19-14(21)8-16-11(3)5-15/h16-17H,1,3-9,15H2,2H3,(H,18,20)(H,19,21).

What are the key properties of 2-(3-aminoprop-1-en-2-ylamino)-N-[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]prop-2-enyl]acetamide?

2-(3-aminoprop-1-en-2-ylamino)-N-[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]prop-2-enyl]acetamide has a molecular weight of 295.39 g/mol, XLogP of -1.04, 11 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-aminoprop-1-en-2-ylamino)-N-[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]prop-2-enyl]acetamide is sourced from PubChem (CID 144630094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).