CID 59482459

C25H45N7O5 — CID 59482459

IUPAC—
SMILESCC1(C)CC(Nc2nc(OC3CC(C)(C)N([O])C(C)(C)C3)nc(N(CCO)CCO)n2)CC(C)(C)N1[O]
InChIInChI=1S/C25H45N7O5/c1-22(2)13-17(14-23(3,4)31(22)35)26-19-27-20(30(9-11-33)10-12-34)29-21(28-19)37-18-15-24(5,6)32(36)25(7,8)16-18/h17-18,33-34H,9-16H2,1-8H3,(H,26,27,28,29)
InChIKeyDIITXFQWEGYUAN-UHFFFAOYSA-N
MW523.68 g/mol
LogP2.19
Rot. Bonds9

About CID 59482459

CID 59482459 (PubChem CID 59482459) has the molecular formula C25H45N7O5 and a molecular weight of 523.68 g/mol.

Molecular Properties

Compound NameCID 59482459
PubChem CID59482459
Molecular FormulaC25H45N7O5
Molecular Weight523.68 g/mol
Exact Mass523.35
IUPAC Name—
SMILESCC1(C)CC(Nc2nc(OC3CC(C)(C)N([O])C(C)(C)C3)nc(N(CCO)CCO)n2)CC(C)(C)N1[O]
InChIInChI=1S/C25H45N7O5/c1-22(2)13-17(14-23(3,4)31(22)35)26-19-27-20(30(9-11-33)10-12-34)29-21(28-19)37-18-15-24(5,6)32(36)25(7,8)16-18/h17-18,33-34H,9-16H2,1-8H3,(H,26,27,28,29)
InChIKeyDIITXFQWEGYUAN-UHFFFAOYSA-N
XLogP2.19
TPSA149.91 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.68
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of CID 59482459?
The IUPAC name of CID 59482459 (CID 59482459) is not available.
What is the SMILES notation for CID 59482459?
The canonical SMILES for CID 59482459 is CC1(C)CC(Nc2nc(OC3CC(C)(C)N([O])C(C)(C)C3)nc(N(CCO)CCO)n2)CC(C)(C)N1[O].
What is the InChIKey of CID 59482459?
The InChIKey is DIITXFQWEGYUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45N7O5/c1-22(2)13-17(14-23(3,4)31(22)35)26-19-27-20(30(9-11-33)10-12-34)29-21(28-19)37-18-15-24(5,6)32(36)25(7,8)16-18/h17-18,33-34H,9-16H2,1-8H3,(H,26,27,28,29).
What are the key properties of CID 59482459?
CID 59482459 has a molecular weight of 523.68 g/mol, XLogP of 2.19, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59482459 is sourced from PubChem (CID 59482459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).