CID 11729274

C26H22N2O3 — CID 11729274

IUPAC—
SMILESCN1C[C@@H](c2ccccc2)[C@@]2(COc3ccccc3C2=O)[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C26H22N2O3/c1-28-15-20(17-9-3-2-4-10-17)25(16-31-22-14-8-5-11-18(22)23(25)29)26(28)19-12-6-7-13-21(19)27-24(26)30/h2-14,20H,15-16H2,1H3,(H,27,30)/t20-,25+,26+/m0/s1
InChIKeyQHOFUTURFHYTTR-GKBBYZSKSA-N
MW410.47 g/mol
LogP3.82
Rot. Bonds1

About CID 11729274

CID 11729274 (PubChem CID 11729274) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol.

Molecular Properties

Compound NameCID 11729274
PubChem CID11729274
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC Name—
SMILESCN1C[C@@H](c2ccccc2)[C@@]2(COc3ccccc3C2=O)[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C26H22N2O3/c1-28-15-20(17-9-3-2-4-10-17)25(16-31-22-14-8-5-11-18(22)23(25)29)26(28)19-12-6-7-13-21(19)27-24(26)30/h2-14,20H,15-16H2,1H3,(H,27,30)/t20-,25+,26+/m0/s1
InChIKeyQHOFUTURFHYTTR-GKBBYZSKSA-N
XLogP3.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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chroman-4'-one-3'-spiro-3-N-methyl-4-phenyl-pyrrolidine-2-spiro-3"-oxindole
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ethyl (2R,11R,12S,13R)-13,18-dimethyl-14,22-dioxo-9-oxa-1,15-diazapentacyclo[11.9.0.02,11.03,8.016,21]docosa-3,5,7,16(21),17,19-hexaene-12-carboxylate
CID 25102462
ethyl (2R,11R,12S,13R)-5-methoxy-13-methyl-14,22-dioxo-9-oxa-1,15-diazapentacyclo[11.9.0.02,11.03,8.016,21]docosa-3(8),4,6,16,18,20-hexaene-12-carboxylate
CID 25102466
(2R,11R,12R,13R)-5,19-dimethoxy-13-methyl-12-phenyl-9-oxa-1,15-diazapentacyclo[11.9.0.02,11.03,8.016,21]docosa-3(8),4,6,16(21),17,19-hexaene-14,22-dione
CID 25102488
(2R,11R,12R,13R)-19-methoxy-5,13-dimethyl-12-phenyl-9-oxa-1,15-diazapentacyclo[11.9.0.02,11.03,8.016,21]docosa-3(8),4,6,16(21),17,19-hexaene-14,22-dione
CID 25102494
(2R,11R,12R,13R)-5-methoxy-13-methyl-12-phenyl-9-oxa-1,15-diazapentacyclo[11.9.0.02,11.03,8.016,21]docosa-3(8),4,6,16,18,20-hexaene-14,22-dione
CID 25102698
ethyl (2R,11R,12S,13R)-5,13-dimethyl-14,22-dioxo-9-oxa-1,15-diazapentacyclo[11.9.0.02,11.03,8.016,21]docosa-3(8),4,6,16,18,20-hexaene-12-carboxylate
CID 25102743
ethyl (2R,11R,12S,13R)-13,19-dimethyl-14,22-dioxo-9-oxa-1,15-diazapentacyclo[11.9.0.02,11.03,8.016,21]docosa-3,5,7,16(21),17,19-hexaene-12-carboxylate
CID 25102745
(2R,11R,12R,13R)-13,18-dimethyl-12-phenyl-9-oxa-1,15-diazapentacyclo[11.9.0.02,11.03,8.016,21]docosa-3,5,7,16(21),17,19-hexaene-14,22-dione
CID 25102755
(2R,11R,12R,13R)-13,19-dimethyl-12-phenyl-9-oxa-1,15-diazapentacyclo[11.9.0.02,11.03,8.016,21]docosa-3,5,7,16(21),17,19-hexaene-14,22-dione
CID 42601165

Frequently Asked Questions

What is the IUPAC name of CID 11729274?
The IUPAC name of CID 11729274 (CID 11729274) is not available.
What is the SMILES notation for CID 11729274?
The canonical SMILES for CID 11729274 is CN1C[C@@H](c2ccccc2)[C@@]2(COc3ccccc3C2=O)[C@@]12C(=O)Nc1ccccc12.
What is the InChIKey of CID 11729274?
The InChIKey is QHOFUTURFHYTTR-GKBBYZSKSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-28-15-20(17-9-3-2-4-10-17)25(16-31-22-14-8-5-11-18(22)23(25)29)26(28)19-12-6-7-13-21(19)27-24(26)30/h2-14,20H,15-16H2,1H3,(H,27,30)/t20-,25+,26+/m0/s1.
What are the key properties of CID 11729274?
CID 11729274 has a molecular weight of 410.47 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11729274 is sourced from PubChem (CID 11729274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).