CID 59482396

C32H58N9O3 — CID 59482396

IUPAC—
SMILESCN(c1nc(NC2CC(C)(C)N([O])C(C)(C)C2)nc(N(C)C2CC(C)(C)N([O])C(C)(C)C2)n1)C1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C32H58N9O3/c1-27(2)15-21(16-28(3,4)39(27)42)33-24-34-25(37(13)22-17-29(5,6)40(43)30(7,8)18-22)36-26(35-24)38(14)23-19-31(9,10)41(44)32(11,12)20-23/h21-23H,15-20H2,1-14H3,(H,33,34,35,36)
InChIKeyIFFSPLAOQPHTFW-UHFFFAOYSA-N
MW616.88 g/mol
LogP5.26
Rot. Bonds6

About CID 59482396

CID 59482396 (PubChem CID 59482396) has the molecular formula C32H58N9O3 and a molecular weight of 616.88 g/mol.

Molecular Properties

Compound NameCID 59482396
PubChem CID59482396
Molecular FormulaC32H58N9O3
Molecular Weight616.88 g/mol
Exact Mass616.47
IUPAC Name—
SMILESCN(c1nc(NC2CC(C)(C)N([O])C(C)(C)C2)nc(N(C)C2CC(C)(C)N([O])C(C)(C)C2)n1)C1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C32H58N9O3/c1-27(2)15-21(16-28(3,4)39(27)42)33-24-34-25(37(13)22-17-29(5,6)40(43)30(7,8)18-22)36-26(35-24)38(14)23-19-31(9,10)41(44)32(11,12)20-23/h21-23H,15-20H2,1-14H3,(H,33,34,35,36)
InChIKeyIFFSPLAOQPHTFW-UHFFFAOYSA-N
XLogP5.26
TPSA126.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.88
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of CID 59482396?
The IUPAC name of CID 59482396 (CID 59482396) is not available.
What is the SMILES notation for CID 59482396?
The canonical SMILES for CID 59482396 is CN(c1nc(NC2CC(C)(C)N([O])C(C)(C)C2)nc(N(C)C2CC(C)(C)N([O])C(C)(C)C2)n1)C1CC(C)(C)N([O])C(C)(C)C1.
What is the InChIKey of CID 59482396?
The InChIKey is IFFSPLAOQPHTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H58N9O3/c1-27(2)15-21(16-28(3,4)39(27)42)33-24-34-25(37(13)22-17-29(5,6)40(43)30(7,8)18-22)36-26(35-24)38(14)23-19-31(9,10)41(44)32(11,12)20-23/h21-23H,15-20H2,1-14H3,(H,33,34,35,36).
What are the key properties of CID 59482396?
CID 59482396 has a molecular weight of 616.88 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59482396 is sourced from PubChem (CID 59482396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).