CID 59482380

C21H36N6O4 — CID 59482380

IUPAC—
SMILESCC1(C)CC(Oc2nc(N)nc(OC3CC(C)(C)N([O])C(C)(C)C3)n2)CC(C)(C)N1[O]
InChIInChI=1S/C21H36N6O4/c1-18(2)9-13(10-19(3,4)26(18)28)30-16-23-15(22)24-17(25-16)31-14-11-20(5,6)27(29)21(7,8)12-14/h13-14H,9-12H2,1-8H3,(H2,22,23,24,25)
InChIKeyJHQBLOMREPGEGA-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.95
Rot. Bonds4

About CID 59482380

CID 59482380 (PubChem CID 59482380) has the molecular formula C21H36N6O4 and a molecular weight of 436.56 g/mol.

Molecular Properties

Compound NameCID 59482380
PubChem CID59482380
Molecular FormulaC21H36N6O4
Molecular Weight436.56 g/mol
Exact Mass436.28
IUPAC Name—
SMILESCC1(C)CC(Oc2nc(N)nc(OC3CC(C)(C)N([O])C(C)(C)C3)n2)CC(C)(C)N1[O]
InChIInChI=1S/C21H36N6O4/c1-18(2)9-13(10-19(3,4)26(18)28)30-16-23-15(22)24-17(25-16)31-14-11-20(5,6)27(29)21(7,8)12-14/h13-14H,9-12H2,1-8H3,(H2,22,23,24,25)
InChIKeyJHQBLOMREPGEGA-UHFFFAOYSA-N
XLogP2.95
TPSA129.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of CID 59482380?
The IUPAC name of CID 59482380 (CID 59482380) is not available.
What is the SMILES notation for CID 59482380?
The canonical SMILES for CID 59482380 is CC1(C)CC(Oc2nc(N)nc(OC3CC(C)(C)N([O])C(C)(C)C3)n2)CC(C)(C)N1[O].
What is the InChIKey of CID 59482380?
The InChIKey is JHQBLOMREPGEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N6O4/c1-18(2)9-13(10-19(3,4)26(18)28)30-16-23-15(22)24-17(25-16)31-14-11-20(5,6)27(29)21(7,8)12-14/h13-14H,9-12H2,1-8H3,(H2,22,23,24,25).
What are the key properties of CID 59482380?
CID 59482380 has a molecular weight of 436.56 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59482380 is sourced from PubChem (CID 59482380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).