15-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-16,16-dimethyl-14-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one

C26H26N2O2 — CID 68570092

IUPAC15-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-16,16-dimethyl-14-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one
SMILESCN(C)c1ccc(/C=C/C23OC(=O)CN2c2ccc4ccccc4c2C3(C)C)cc1
InChIInChI=1S/C26H26N2O2/c1-25(2)24-21-8-6-5-7-19(21)11-14-22(24)28-17-23(29)30-26(25,28)16-15-18-9-12-20(13-10-18)27(3)4/h5-16H,17H2,1-4H3/b16-15+
InChIKeyNPVPFRHIPCDFGI-FOCLMDBBSA-N
MW398.51 g/mol
LogP4.97
Rot. Bonds3

About 15-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-16,16-dimethyl-14-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one

15-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-16,16-dimethyl-14-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one (PubChem CID 68570092) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 15-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-16,16-dimethyl-14-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one.

Molecular Properties

Compound Name15-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-16,16-dimethyl-14-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one
PubChem CID68570092
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name15-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-16,16-dimethyl-14-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one
SMILESCN(C)c1ccc(/C=C/C23OC(=O)CN2c2ccc4ccccc4c2C3(C)C)cc1
InChIInChI=1S/C26H26N2O2/c1-25(2)24-21-8-6-5-7-19(21)11-14-22(24)28-17-23(29)30-26(25,28)16-15-18-9-12-20(13-10-18)27(3)4/h5-16H,17H2,1-4H3/b16-15+
InChIKeyNPVPFRHIPCDFGI-FOCLMDBBSA-N
XLogP4.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Analyze 15-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-16,16-dimethyl-14-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-16,16-dimethyl-14-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one?
The IUPAC name of 15-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-16,16-dimethyl-14-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one (CID 68570092) is 15-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-16,16-dimethyl-14-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one.
What is the SMILES notation for 15-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-16,16-dimethyl-14-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one?
The canonical SMILES for 15-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-16,16-dimethyl-14-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one is CN(C)c1ccc(/C=C/C23OC(=O)CN2c2ccc4ccccc4c2C3(C)C)cc1.
What is the InChIKey of 15-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-16,16-dimethyl-14-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one?
The InChIKey is NPVPFRHIPCDFGI-FOCLMDBBSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-25(2)24-21-8-6-5-7-19(21)11-14-22(24)28-17-23(29)30-26(25,28)16-15-18-9-12-20(13-10-18)27(3)4/h5-16H,17H2,1-4H3/b16-15+.
What are the key properties of 15-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-16,16-dimethyl-14-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one?
15-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-16,16-dimethyl-14-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one has a molecular weight of 398.51 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-16,16-dimethyl-14-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one is sourced from PubChem (CID 68570092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).