CID 102149857

C24H23NO4 — CID 102149857

IUPAC—
SMILESCOc1ccc([C@@H]2CN(C)C3(C(=O)c4ccccc4C3=O)[C@]23CCCC3=O)cc1
InChIInChI=1S/C24H23NO4/c1-25-14-19(15-9-11-16(29-2)12-10-15)23(13-5-8-20(23)26)24(25)21(27)17-6-3-4-7-18(17)22(24)28/h3-4,6-7,9-12,19H,5,8,13-14H2,1-2H3/t19-,23+/m0/s1
InChIKeyDKILFGMNEZPSDY-WMZHIEFXSA-N
MW389.45 g/mol
LogP3.28
Rot. Bonds2

About CID 102149857

CID 102149857 (PubChem CID 102149857) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol.

Molecular Properties

Compound NameCID 102149857
PubChem CID102149857
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name—
SMILESCOc1ccc([C@@H]2CN(C)C3(C(=O)c4ccccc4C3=O)[C@]23CCCC3=O)cc1
InChIInChI=1S/C24H23NO4/c1-25-14-19(15-9-11-16(29-2)12-10-15)23(13-5-8-20(23)26)24(25)21(27)17-6-3-4-7-18(17)22(24)28/h3-4,6-7,9-12,19H,5,8,13-14H2,1-2H3/t19-,23+/m0/s1
InChIKeyDKILFGMNEZPSDY-WMZHIEFXSA-N
XLogP3.28
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 102149857?
The IUPAC name of CID 102149857 (CID 102149857) is not available.
What is the SMILES notation for CID 102149857?
The canonical SMILES for CID 102149857 is COc1ccc([C@@H]2CN(C)C3(C(=O)c4ccccc4C3=O)[C@]23CCCC3=O)cc1.
What is the InChIKey of CID 102149857?
The InChIKey is DKILFGMNEZPSDY-WMZHIEFXSA-N. The full InChI is InChI=1S/C24H23NO4/c1-25-14-19(15-9-11-16(29-2)12-10-15)23(13-5-8-20(23)26)24(25)21(27)17-6-3-4-7-18(17)22(24)28/h3-4,6-7,9-12,19H,5,8,13-14H2,1-2H3/t19-,23+/m0/s1.
What are the key properties of CID 102149857?
CID 102149857 has a molecular weight of 389.45 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102149857 is sourced from PubChem (CID 102149857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).