CID 73212894

C34H36N2O2 — CID 73212894

IUPAC—
SMILESNC(=O)CCCCCCC(=O)Nc1ccc(/C(=C(/CC[C]2[CH][CH][CH][CH]2)[C]2[CH][CH][CH][CH]2)c2ccccc2)cc1
InChIInChI=1S/C34H36N2O2/c35-32(37)18-6-1-2-7-19-33(38)36-30-23-21-29(22-24-30)34(28-16-4-3-5-17-28)31(27-14-10-11-15-27)25-20-26-12-8-9-13-26/h3-5,8-17,21-24H,1-2,6-7,18-20,25H2,(H2,35,37)(H,36,38)/b34-31-
InChIKeyPKPJPTMWSAOFEB-NMSHJFGGSA-N
MW504.67 g/mol
LogP6.84
Rot. Bonds14

About CID 73212894

CID 73212894 (PubChem CID 73212894) has the molecular formula C34H36N2O2 and a molecular weight of 504.67 g/mol.

Molecular Properties

Compound NameCID 73212894
PubChem CID73212894
Molecular FormulaC34H36N2O2
Molecular Weight504.67 g/mol
Exact Mass504.28
IUPAC Name—
SMILESNC(=O)CCCCCCC(=O)Nc1ccc(/C(=C(/CC[C]2[CH][CH][CH][CH]2)[C]2[CH][CH][CH][CH]2)c2ccccc2)cc1
InChIInChI=1S/C34H36N2O2/c35-32(37)18-6-1-2-7-19-33(38)36-30-23-21-29(22-24-30)34(28-16-4-3-5-17-28)31(27-14-10-11-15-27)25-20-26-12-8-9-13-26/h3-5,8-17,21-24H,1-2,6-7,18-20,25H2,(H2,35,37)(H,36,38)/b34-31-
InChIKeyPKPJPTMWSAOFEB-NMSHJFGGSA-N
XLogP6.84
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.67
LogP ≤ 56.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 53376739
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Frequently Asked Questions

What is the IUPAC name of CID 73212894?
The IUPAC name of CID 73212894 (CID 73212894) is not available.
What is the SMILES notation for CID 73212894?
The canonical SMILES for CID 73212894 is NC(=O)CCCCCCC(=O)Nc1ccc(/C(=C(/CC[C]2[CH][CH][CH][CH]2)[C]2[CH][CH][CH][CH]2)c2ccccc2)cc1.
What is the InChIKey of CID 73212894?
The InChIKey is PKPJPTMWSAOFEB-NMSHJFGGSA-N. The full InChI is InChI=1S/C34H36N2O2/c35-32(37)18-6-1-2-7-19-33(38)36-30-23-21-29(22-24-30)34(28-16-4-3-5-17-28)31(27-14-10-11-15-27)25-20-26-12-8-9-13-26/h3-5,8-17,21-24H,1-2,6-7,18-20,25H2,(H2,35,37)(H,36,38)/b34-31-.
What are the key properties of CID 73212894?
CID 73212894 has a molecular weight of 504.67 g/mol, XLogP of 6.84, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 73212894 is sourced from PubChem (CID 73212894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).