CID 164666502

C29H35NO3P — CID 164666502

IUPAC—
SMILESCC(C)(C)OC(=O)N1CCC(CO[P](c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H35NO3P/c1-29(2,3)33-28(31)30-21-19-24(20-22-30)23-32-34(25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-18,24H,19-23H2,1-3H3
InChIKeyJFWWAQBXPVFISM-UHFFFAOYSA-N
MW476.58 g/mol
LogP5.56
Rot. Bonds6

About CID 164666502

CID 164666502 (PubChem CID 164666502) has the molecular formula C29H35NO3P and a molecular weight of 476.58 g/mol.

Molecular Properties

Compound NameCID 164666502
PubChem CID164666502
Molecular FormulaC29H35NO3P
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Name—
SMILESCC(C)(C)OC(=O)N1CCC(CO[P](c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H35NO3P/c1-29(2,3)33-28(31)30-21-19-24(20-22-30)23-32-34(25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-18,24H,19-23H2,1-3H3
InChIKeyJFWWAQBXPVFISM-UHFFFAOYSA-N
XLogP5.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 164666502?
The IUPAC name of CID 164666502 (CID 164666502) is not available.
What is the SMILES notation for CID 164666502?
The canonical SMILES for CID 164666502 is CC(C)(C)OC(=O)N1CCC(CO[P](c2ccccc2)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of CID 164666502?
The InChIKey is JFWWAQBXPVFISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO3P/c1-29(2,3)33-28(31)30-21-19-24(20-22-30)23-32-34(25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-18,24H,19-23H2,1-3H3.
What are the key properties of CID 164666502?
CID 164666502 has a molecular weight of 476.58 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164666502 is sourced from PubChem (CID 164666502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).