CID 102201614

C24H24N2O5 — CID 102201614

IUPAC—
SMILESCCOC(=O)[C@H]1[C@]2(C(=O)Nc3ccccc32)[C@H](c2ccccc2C)N[C@@]12CCOC2=O
InChIInChI=1S/C24H24N2O5/c1-3-30-20(27)18-23(12-13-31-22(23)29)26-19(15-9-5-4-8-14(15)2)24(18)16-10-6-7-11-17(16)25-21(24)28/h4-11,18-19,26H,3,12-13H2,1-2H3,(H,25,28)/t18-,19+,23+,24+/m1/s1
InChIKeyFLJOJAQLMKOMKW-GABIRTJKSA-N
MW420.47 g/mol
LogP2.39
Rot. Bonds3

About CID 102201614

CID 102201614 (PubChem CID 102201614) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol.

Molecular Properties

Compound NameCID 102201614
PubChem CID102201614
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name—
SMILESCCOC(=O)[C@H]1[C@]2(C(=O)Nc3ccccc32)[C@H](c2ccccc2C)N[C@@]12CCOC2=O
InChIInChI=1S/C24H24N2O5/c1-3-30-20(27)18-23(12-13-31-22(23)29)26-19(15-9-5-4-8-14(15)2)24(18)16-10-6-7-11-17(16)25-21(24)28/h4-11,18-19,26H,3,12-13H2,1-2H3,(H,25,28)/t18-,19+,23+,24+/m1/s1
InChIKeyFLJOJAQLMKOMKW-GABIRTJKSA-N
XLogP2.39
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 102201614?
The IUPAC name of CID 102201614 (CID 102201614) is not available.
What is the SMILES notation for CID 102201614?
The canonical SMILES for CID 102201614 is CCOC(=O)[C@H]1[C@]2(C(=O)Nc3ccccc32)[C@H](c2ccccc2C)N[C@@]12CCOC2=O.
What is the InChIKey of CID 102201614?
The InChIKey is FLJOJAQLMKOMKW-GABIRTJKSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-3-30-20(27)18-23(12-13-31-22(23)29)26-19(15-9-5-4-8-14(15)2)24(18)16-10-6-7-11-17(16)25-21(24)28/h4-11,18-19,26H,3,12-13H2,1-2H3,(H,25,28)/t18-,19+,23+,24+/m1/s1.
What are the key properties of CID 102201614?
CID 102201614 has a molecular weight of 420.47 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102201614 is sourced from PubChem (CID 102201614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).