2-[2-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-[2-(2-oxopropylamino)ethyl]amino]ethyl]amino]ethylamino]acetamide

C15H31N7O4 — CID 174307895

About 2-[2-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-[2-(2-oxopropylamino)ethyl]amino]ethyl]amino]ethylamino]acetamide

2-[2-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-[2-(2-oxopropylamino)ethyl]amino]ethyl]amino]ethylamino]acetamide (PubChem CID 174307895) has the molecular formula C15H31N7O4 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[2-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-[2-(2-oxopropylamino)ethyl]amino]ethyl]amino]ethylamino]acetamide.

Molecular Properties

• Compound Name: 2-[2-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-[2-(2-oxopropylamino)ethyl]amino]ethyl]amino]ethylamino]acetamide
• PubChem CID: 174307895
• Molecular Formula: C15H31N7O4
• Molecular Weight: 373.46 g/mol
• Exact Mass: 373.24
• IUPAC Name: 2-[2-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-[2-(2-oxopropylamino)ethyl]amino]ethyl]amino]ethylamino]acetamide
• SMILES: CC(=O)CNCCN(CCN(CCNCC(N)=O)CC(N)=O)CC(N)=O
• InChI: InChI=1S/C15H31N7O4/c1-12(23)8-19-2-4-21(10-14(17)25)6-7-22(11-15(18)26)5-3-20-9-13(16)24/h19-20H,2-11H2,1H3,(H2,16,24)(H2,17,25)(H2,18,26)
• InChIKey: YUNFKJKQXDAADM-UHFFFAOYSA-N
• XLogP: -4.19
• TPSA: 176.88 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.46
LogP ≤ 5	-4.19
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-[2-(2-oxopropylamino)ethyl]amino]ethyl]amino]ethylamino]acetamide?

The IUPAC name of 2-[2-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-[2-(2-oxopropylamino)ethyl]amino]ethyl]amino]ethylamino]acetamide (CID 174307895) is 2-[2-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-[2-(2-oxopropylamino)ethyl]amino]ethyl]amino]ethylamino]acetamide.

What is the SMILES notation for 2-[2-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-[2-(2-oxopropylamino)ethyl]amino]ethyl]amino]ethylamino]acetamide?

The canonical SMILES for 2-[2-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-[2-(2-oxopropylamino)ethyl]amino]ethyl]amino]ethylamino]acetamide is CC(=O)CNCCN(CCN(CCNCC(N)=O)CC(N)=O)CC(N)=O.

What is the InChIKey of 2-[2-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-[2-(2-oxopropylamino)ethyl]amino]ethyl]amino]ethylamino]acetamide?

The InChIKey is YUNFKJKQXDAADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N7O4/c1-12(23)8-19-2-4-21(10-14(17)25)6-7-22(11-15(18)26)5-3-20-9-13(16)24/h19-20H,2-11H2,1H3,(H2,16,24)(H2,17,25)(H2,18,26).

What are the key properties of 2-[2-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-[2-(2-oxopropylamino)ethyl]amino]ethyl]amino]ethylamino]acetamide?

2-[2-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-[2-(2-oxopropylamino)ethyl]amino]ethyl]amino]ethylamino]acetamide has a molecular weight of 373.46 g/mol, XLogP of -4.19, 17 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-[2-(2-oxopropylamino)ethyl]amino]ethyl]amino]ethylamino]acetamide is sourced from PubChem (CID 174307895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).