4-[2-[2-[bis(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]butan-2-one

C24H43N3O5 — CID 168813653

IUPAC4-[2-[2-[bis(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]butan-2-one
SMILESCC(=O)CCN(CCC(C)=O)CCN(CCC(C)=O)CCN(CCC(C)=O)CCC(C)=O
InChIInChI=1S/C24H43N3O5/c1-20(28)6-11-25(12-7-21(2)29)16-18-27(15-10-24(5)32)19-17-26(13-8-22(3)30)14-9-23(4)31/h6-19H2,1-5H3
InChIKeyBICYMNQSFAAWRP-UHFFFAOYSA-N
MW453.62 g/mol
LogP1.79
Rot. Bonds21

About 4-[2-[2-[bis(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]butan-2-one

4-[2-[2-[bis(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]butan-2-one (PubChem CID 168813653) has the molecular formula C24H43N3O5 and a molecular weight of 453.62 g/mol. Its IUPAC name is 4-[2-[2-[bis(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]butan-2-one.

Molecular Properties

Compound Name4-[2-[2-[bis(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]butan-2-one
PubChem CID168813653
Molecular FormulaC24H43N3O5
Molecular Weight453.62 g/mol
Exact Mass453.32
IUPAC Name4-[2-[2-[bis(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]butan-2-one
SMILESCC(=O)CCN(CCC(C)=O)CCN(CCC(C)=O)CCN(CCC(C)=O)CCC(C)=O
InChIInChI=1S/C24H43N3O5/c1-20(28)6-11-25(12-7-21(2)29)16-18-27(15-10-24(5)32)19-17-26(13-8-22(3)30)14-9-23(4)31/h6-19H2,1-5H3
InChIKeyBICYMNQSFAAWRP-UHFFFAOYSA-N
XLogP1.79
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.62
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[bis(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]butan-2-one?
The IUPAC name of 4-[2-[2-[bis(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]butan-2-one (CID 168813653) is 4-[2-[2-[bis(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]butan-2-one.
What is the SMILES notation for 4-[2-[2-[bis(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]butan-2-one?
The canonical SMILES for 4-[2-[2-[bis(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]butan-2-one is CC(=O)CCN(CCC(C)=O)CCN(CCC(C)=O)CCN(CCC(C)=O)CCC(C)=O.
What is the InChIKey of 4-[2-[2-[bis(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]butan-2-one?
The InChIKey is BICYMNQSFAAWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N3O5/c1-20(28)6-11-25(12-7-21(2)29)16-18-27(15-10-24(5)32)19-17-26(13-8-22(3)30)14-9-23(4)31/h6-19H2,1-5H3.
What are the key properties of 4-[2-[2-[bis(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]butan-2-one?
4-[2-[2-[bis(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]butan-2-one has a molecular weight of 453.62 g/mol, XLogP of 1.79, 21 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[bis(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]butan-2-one is sourced from PubChem (CID 168813653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).