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

C21H37N3O5 — CID 59227290

IUPAC1-[bis[2-[bis(2-oxopropyl)amino]propyl]amino]propan-2-one
SMILESCC(=O)CN(CC(C)N(CC(C)=O)CC(C)=O)CC(C)N(CC(C)=O)CC(C)=O
InChIInChI=1S/C21H37N3O5/c1-15(23(11-18(4)26)12-19(5)27)8-22(10-17(3)25)9-16(2)24(13-20(6)28)14-21(7)29/h15-16H,8-14H2,1-7H3
InChIKeyFMZYLJDCRSOXPY-UHFFFAOYSA-N
MW411.54 g/mol
LogP0.61
Rot. Bonds16

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

1-[bis[2-[bis(2-oxopropyl)amino]propyl]amino]propan-2-one (PubChem CID 59227290) has the molecular formula C21H37N3O5 and a molecular weight of 411.54 g/mol. Its IUPAC name is 1-[bis[2-[bis(2-oxopropyl)amino]propyl]amino]propan-2-one.

Molecular Properties

Compound Name1-[bis[2-[bis(2-oxopropyl)amino]propyl]amino]propan-2-one
PubChem CID59227290
Molecular FormulaC21H37N3O5
Molecular Weight411.54 g/mol
Exact Mass411.27
IUPAC Name1-[bis[2-[bis(2-oxopropyl)amino]propyl]amino]propan-2-one
SMILESCC(=O)CN(CC(C)N(CC(C)=O)CC(C)=O)CC(C)N(CC(C)=O)CC(C)=O
InChIInChI=1S/C21H37N3O5/c1-15(23(11-18(4)26)12-19(5)27)8-22(10-17(3)25)9-16(2)24(13-20(6)28)14-21(7)29/h15-16H,8-14H2,1-7H3
InChIKeyFMZYLJDCRSOXPY-UHFFFAOYSA-N
XLogP0.61
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.54
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[bis[2-[bis(2-oxopropyl)amino]propyl]amino]propan-2-one?
The IUPAC name of 1-[bis[2-[bis(2-oxopropyl)amino]propyl]amino]propan-2-one (CID 59227290) is 1-[bis[2-[bis(2-oxopropyl)amino]propyl]amino]propan-2-one.
What is the SMILES notation for 1-[bis[2-[bis(2-oxopropyl)amino]propyl]amino]propan-2-one?
The canonical SMILES for 1-[bis[2-[bis(2-oxopropyl)amino]propyl]amino]propan-2-one is CC(=O)CN(CC(C)N(CC(C)=O)CC(C)=O)CC(C)N(CC(C)=O)CC(C)=O.
What is the InChIKey of 1-[bis[2-[bis(2-oxopropyl)amino]propyl]amino]propan-2-one?
The InChIKey is FMZYLJDCRSOXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O5/c1-15(23(11-18(4)26)12-19(5)27)8-22(10-17(3)25)9-16(2)24(13-20(6)28)14-21(7)29/h15-16H,8-14H2,1-7H3.
What are the key properties of 1-[bis[2-[bis(2-oxopropyl)amino]propyl]amino]propan-2-one?
1-[bis[2-[bis(2-oxopropyl)amino]propyl]amino]propan-2-one has a molecular weight of 411.54 g/mol, XLogP of 0.61, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis[2-[bis(2-oxopropyl)amino]propyl]amino]propan-2-one is sourced from PubChem (CID 59227290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).