ethyl (10R,13R)-8,11-dimethyl-13-phenyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate

C24H26N2O2 — CID 71653857

IUPACethyl (10R,13R)-8,11-dimethyl-13-phenyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate
SMILESCCOC(=O)C12Cn3c(c(C)c4ccccc43)[C@@H]1N(C)C[C@@H]2c1ccccc1
InChIInChI=1S/C24H26N2O2/c1-4-28-23(27)24-15-26-20-13-9-8-12-18(20)16(2)21(26)22(24)25(3)14-19(24)17-10-6-5-7-11-17/h5-13,19,22H,4,14-15H2,1-3H3/t19-,22+,24?/m1/s1
InChIKeyOTSAXHFMGMIIQN-LOMQJKJHSA-N
MW374.48 g/mol
LogP4.28
Rot. Bonds3

About ethyl (10R,13R)-8,11-dimethyl-13-phenyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate

ethyl (10R,13R)-8,11-dimethyl-13-phenyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate (PubChem CID 71653857) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is ethyl (10R,13R)-8,11-dimethyl-13-phenyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate.

Molecular Properties

Compound Nameethyl (10R,13R)-8,11-dimethyl-13-phenyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate
PubChem CID71653857
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Nameethyl (10R,13R)-8,11-dimethyl-13-phenyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate
SMILESCCOC(=O)C12Cn3c(c(C)c4ccccc43)[C@@H]1N(C)C[C@@H]2c1ccccc1
InChIInChI=1S/C24H26N2O2/c1-4-28-23(27)24-15-26-20-13-9-8-12-18(20)16(2)21(26)22(24)25(3)14-19(24)17-10-6-5-7-11-17/h5-13,19,22H,4,14-15H2,1-3H3/t19-,22+,24?/m1/s1
InChIKeyOTSAXHFMGMIIQN-LOMQJKJHSA-N
XLogP4.28
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze ethyl (10R,13R)-8,11-dimethyl-13-phenyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate with MolForge

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Related Compounds

ethyl (2R,8R)-18-methyl-8-phenyl-5-thia-3,11-diazapentacyclo[9.7.0.02,9.03,7.012,17]octadeca-1(18),12,14,16-tetraene-9-carboxylate
CID 139214173
ethyl 13-(4-methoxyphenyl)-11-methyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate
CID 139214163
methyl (10R,13R,14S)-11-benzyl-8-methyl-13-(4-methylphenyl)-12-oxa-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate
CID 134837721
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CID 25137557
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trans-ethyl (1R,2S)-2-(4-methylphenyl)-1-phenylcyclopropane-1-carboxylate
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diethyl 1,4-dimethyl-6-phenyl-5,6-dihydro-2H-azepine-7,7-dicarboxylate
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diethyl 1-acetyl-5-hydroxy-3-phenylpyrrolidine-2,2-dicarboxylate
CID 658963
(10S,13R,14S)-11-benzyl-8-methyl-13-phenyl-12-oxa-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carbonitrile
CID 102491459

Frequently Asked Questions

What is the IUPAC name of ethyl (10R,13R)-8,11-dimethyl-13-phenyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate?
The IUPAC name of ethyl (10R,13R)-8,11-dimethyl-13-phenyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate (CID 71653857) is ethyl (10R,13R)-8,11-dimethyl-13-phenyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate.
What is the SMILES notation for ethyl (10R,13R)-8,11-dimethyl-13-phenyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate?
The canonical SMILES for ethyl (10R,13R)-8,11-dimethyl-13-phenyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate is CCOC(=O)C12Cn3c(c(C)c4ccccc43)[C@@H]1N(C)C[C@@H]2c1ccccc1.
What is the InChIKey of ethyl (10R,13R)-8,11-dimethyl-13-phenyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate?
The InChIKey is OTSAXHFMGMIIQN-LOMQJKJHSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-4-28-23(27)24-15-26-20-13-9-8-12-18(20)16(2)21(26)22(24)25(3)14-19(24)17-10-6-5-7-11-17/h5-13,19,22H,4,14-15H2,1-3H3/t19-,22+,24?/m1/s1.
What are the key properties of ethyl (10R,13R)-8,11-dimethyl-13-phenyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate?
ethyl (10R,13R)-8,11-dimethyl-13-phenyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate has a molecular weight of 374.48 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (10R,13R)-8,11-dimethyl-13-phenyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate is sourced from PubChem (CID 71653857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).