CID 24987030

C29H39F2NO4 — CID 24987030

IUPAC—
SMILESFC1(F)CCN(CCOc2ccc(C3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)cc2)CC1
InChIInChI=1S/C29H39F2NO4/c30-27(31)9-11-32(12-10-27)13-14-33-26-3-1-22(2-4-26)23-5-7-28(8-6-23)34-29(36-35-28)24-16-20-15-21(18-24)19-25(29)17-20/h1-4,20-21,23-25H,5-19H2
InChIKeyPCUMPDZAYTWXKZ-UHFFFAOYSA-N
MW503.63 g/mol
LogP6.28
Rot. Bonds5

About CID 24987030

CID 24987030 (PubChem CID 24987030) has the molecular formula C29H39F2NO4 and a molecular weight of 503.63 g/mol.

Molecular Properties

Compound NameCID 24987030
PubChem CID24987030
Molecular FormulaC29H39F2NO4
Molecular Weight503.63 g/mol
Exact Mass503.28
IUPAC Name—
SMILESFC1(F)CCN(CCOc2ccc(C3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)cc2)CC1
InChIInChI=1S/C29H39F2NO4/c30-27(31)9-11-32(12-10-27)13-14-33-26-3-1-22(2-4-26)23-5-7-28(8-6-23)34-29(36-35-28)24-16-20-15-21(18-24)19-25(29)17-20/h1-4,20-21,23-25H,5-19H2
InChIKeyPCUMPDZAYTWXKZ-UHFFFAOYSA-N
XLogP6.28
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.63
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 24987030?
The IUPAC name of CID 24987030 (CID 24987030) is not available.
What is the SMILES notation for CID 24987030?
The canonical SMILES for CID 24987030 is FC1(F)CCN(CCOc2ccc(C3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)cc2)CC1.
What is the InChIKey of CID 24987030?
The InChIKey is PCUMPDZAYTWXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39F2NO4/c30-27(31)9-11-32(12-10-27)13-14-33-26-3-1-22(2-4-26)23-5-7-28(8-6-23)34-29(36-35-28)24-16-20-15-21(18-24)19-25(29)17-20/h1-4,20-21,23-25H,5-19H2.
What are the key properties of CID 24987030?
CID 24987030 has a molecular weight of 503.63 g/mol, XLogP of 6.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 24987030 is sourced from PubChem (CID 24987030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).