1-[2-[2-[bis(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]ethylamino]propan-2-one

C16H29N3O4 — CID 20771215

IUPAC1-[2-[2-[bis(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]ethylamino]propan-2-one
SMILESCC(=O)CNCCN(CCN(CC(C)=O)CC(C)=O)CC(C)=O
InChIInChI=1S/C16H29N3O4/c1-13(20)9-17-5-6-18(10-14(2)21)7-8-19(11-15(3)22)12-16(4)23/h17H,5-12H2,1-4H3
InChIKeyLOOUTBAAIAFGGM-UHFFFAOYSA-N
MW327.43 g/mol
LogP-0.46
Rot. Bonds14

About 1-[2-[2-[bis(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]ethylamino]propan-2-one

1-[2-[2-[bis(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]ethylamino]propan-2-one (PubChem CID 20771215) has the molecular formula C16H29N3O4 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[2-[2-[bis(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]ethylamino]propan-2-one.

Molecular Properties

Compound Name1-[2-[2-[bis(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]ethylamino]propan-2-one
PubChem CID20771215
Molecular FormulaC16H29N3O4
Molecular Weight327.43 g/mol
Exact Mass327.22
IUPAC Name1-[2-[2-[bis(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]ethylamino]propan-2-one
SMILESCC(=O)CNCCN(CCN(CC(C)=O)CC(C)=O)CC(C)=O
InChIInChI=1S/C16H29N3O4/c1-13(20)9-17-5-6-18(10-14(2)21)7-8-19(11-15(3)22)12-16(4)23/h17H,5-12H2,1-4H3
InChIKeyLOOUTBAAIAFGGM-UHFFFAOYSA-N
XLogP-0.46
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 1-[2-[2-[bis(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]ethylamino]propan-2-one?
The IUPAC name of 1-[2-[2-[bis(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]ethylamino]propan-2-one (CID 20771215) is 1-[2-[2-[bis(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]ethylamino]propan-2-one.
What is the SMILES notation for 1-[2-[2-[bis(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]ethylamino]propan-2-one?
The canonical SMILES for 1-[2-[2-[bis(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]ethylamino]propan-2-one is CC(=O)CNCCN(CCN(CC(C)=O)CC(C)=O)CC(C)=O.
What is the InChIKey of 1-[2-[2-[bis(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]ethylamino]propan-2-one?
The InChIKey is LOOUTBAAIAFGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4/c1-13(20)9-17-5-6-18(10-14(2)21)7-8-19(11-15(3)22)12-16(4)23/h17H,5-12H2,1-4H3.
What are the key properties of 1-[2-[2-[bis(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]ethylamino]propan-2-one?
1-[2-[2-[bis(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]ethylamino]propan-2-one has a molecular weight of 327.43 g/mol, XLogP of -0.46, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[bis(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]ethylamino]propan-2-one is sourced from PubChem (CID 20771215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).