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

C24H41N3O5 — CID 59227289

IUPAC1-[[2-[bis(2-oxopropyl)amino]cyclohexyl]-[2-[bis(2-oxopropyl)amino]propyl]amino]propan-2-one
SMILESCC(=O)CN(CC(C)=O)C(C)CN(CC(C)=O)C1CCCCC1N(CC(C)=O)CC(C)=O
InChIInChI=1S/C24H41N3O5/c1-17(25(12-18(2)28)13-19(3)29)11-26(14-20(4)30)23-9-7-8-10-24(23)27(15-21(5)31)16-22(6)32/h17,23-24H,7-16H2,1-6H3
InChIKeyINPOOTNBQSRZMS-UHFFFAOYSA-N
MW451.61 g/mol
LogP1.54
Rot. Bonds15

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

1-[[2-[bis(2-oxopropyl)amino]cyclohexyl]-[2-[bis(2-oxopropyl)amino]propyl]amino]propan-2-one (PubChem CID 59227289) has the molecular formula C24H41N3O5 and a molecular weight of 451.61 g/mol. Its IUPAC name is 1-[[2-[bis(2-oxopropyl)amino]cyclohexyl]-[2-[bis(2-oxopropyl)amino]propyl]amino]propan-2-one.

Molecular Properties

Compound Name1-[[2-[bis(2-oxopropyl)amino]cyclohexyl]-[2-[bis(2-oxopropyl)amino]propyl]amino]propan-2-one
PubChem CID59227289
Molecular FormulaC24H41N3O5
Molecular Weight451.61 g/mol
Exact Mass451.30
IUPAC Name1-[[2-[bis(2-oxopropyl)amino]cyclohexyl]-[2-[bis(2-oxopropyl)amino]propyl]amino]propan-2-one
SMILESCC(=O)CN(CC(C)=O)C(C)CN(CC(C)=O)C1CCCCC1N(CC(C)=O)CC(C)=O
InChIInChI=1S/C24H41N3O5/c1-17(25(12-18(2)28)13-19(3)29)11-26(14-20(4)30)23-9-7-8-10-24(23)27(15-21(5)31)16-22(6)32/h17,23-24H,7-16H2,1-6H3
InChIKeyINPOOTNBQSRZMS-UHFFFAOYSA-N
XLogP1.54
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.61
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[bis(2-oxopropyl)amino]cyclohexyl]-[2-[bis(2-oxopropyl)amino]propyl]amino]propan-2-one?
The IUPAC name of 1-[[2-[bis(2-oxopropyl)amino]cyclohexyl]-[2-[bis(2-oxopropyl)amino]propyl]amino]propan-2-one (CID 59227289) is 1-[[2-[bis(2-oxopropyl)amino]cyclohexyl]-[2-[bis(2-oxopropyl)amino]propyl]amino]propan-2-one.
What is the SMILES notation for 1-[[2-[bis(2-oxopropyl)amino]cyclohexyl]-[2-[bis(2-oxopropyl)amino]propyl]amino]propan-2-one?
The canonical SMILES for 1-[[2-[bis(2-oxopropyl)amino]cyclohexyl]-[2-[bis(2-oxopropyl)amino]propyl]amino]propan-2-one is CC(=O)CN(CC(C)=O)C(C)CN(CC(C)=O)C1CCCCC1N(CC(C)=O)CC(C)=O.
What is the InChIKey of 1-[[2-[bis(2-oxopropyl)amino]cyclohexyl]-[2-[bis(2-oxopropyl)amino]propyl]amino]propan-2-one?
The InChIKey is INPOOTNBQSRZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N3O5/c1-17(25(12-18(2)28)13-19(3)29)11-26(14-20(4)30)23-9-7-8-10-24(23)27(15-21(5)31)16-22(6)32/h17,23-24H,7-16H2,1-6H3.
What are the key properties of 1-[[2-[bis(2-oxopropyl)amino]cyclohexyl]-[2-[bis(2-oxopropyl)amino]propyl]amino]propan-2-one?
1-[[2-[bis(2-oxopropyl)amino]cyclohexyl]-[2-[bis(2-oxopropyl)amino]propyl]amino]propan-2-one has a molecular weight of 451.61 g/mol, XLogP of 1.54, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[bis(2-oxopropyl)amino]cyclohexyl]-[2-[bis(2-oxopropyl)amino]propyl]amino]propan-2-one is sourced from PubChem (CID 59227289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).