N,N-dimethylformamide;10-methoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-2-ol

C27H30N2O5 — CID 145319168

IUPACN,N-dimethylformamide;10-methoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-2-ol
SMILESCN(C)C=O.COc1ccc(C23Oc4cc(OC)cnc4C2(O)CCC3c2ccccc2)cc1
InChIInChI=1S/C24H23NO4.C3H7NO/c1-27-18-10-8-17(9-11-18)24-20(16-6-4-3-5-7-16)12-13-23(24,26)22-21(29-24)14-19(28-2)15-25-22;1-4(2)3-5/h3-11,14-15,20,26H,12-13H2,1-2H3;3H,1-2H3
InChIKeyYUQHBMZHCRFVAD-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.86
Rot. Bonds5

About N,N-dimethylformamide;10-methoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-2-ol

N,N-dimethylformamide;10-methoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-2-ol (PubChem CID 145319168) has the molecular formula C27H30N2O5 and a molecular weight of 462.55 g/mol. Its IUPAC name is N,N-dimethylformamide;10-methoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-2-ol.

Molecular Properties

Compound NameN,N-dimethylformamide;10-methoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-2-ol
PubChem CID145319168
Molecular FormulaC27H30N2O5
Molecular Weight462.55 g/mol
Exact Mass462.22
IUPAC NameN,N-dimethylformamide;10-methoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-2-ol
SMILESCN(C)C=O.COc1ccc(C23Oc4cc(OC)cnc4C2(O)CCC3c2ccccc2)cc1
InChIInChI=1S/C24H23NO4.C3H7NO/c1-27-18-10-8-17(9-11-18)24-20(16-6-4-3-5-7-16)12-13-23(24,26)22-21(29-24)14-19(28-2)15-25-22;1-4(2)3-5/h3-11,14-15,20,26H,12-13H2,1-2H3;3H,1-2H3
InChIKeyYUQHBMZHCRFVAD-UHFFFAOYSA-N
XLogP3.86
TPSA81.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N,N-dimethylformamide;10-methoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-2-ol with MolForge

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Related Compounds

4-(2-hydroxy-5-phenyl-10-phenylmethoxy-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-6-yl)benzonitrile;methyl formate
CID 145318739
6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-8b-ol;formic acid
CID 170732891
6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-8b-ol;N-methylformamide
CID 170732881
6-(4-chlorophenyl)-12-methoxy-5-phenyl-7-oxa-10-azatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-2-ol;N,N-dimethylmethanamine
CID 145319013
(2R,5S,6R)-6-(4-bromophenyl)-12-methoxy-5-phenyl-7-oxa-10-azatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-2-ol;N-(2-hydroxyethyl)-N-methylformamide
CID 145318839
(2R,6R)-6-(4-bromophenyl)-12-methoxy-5-phenyl-7-oxa-10-azatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-2-ol
CID 145318655
4-[(2R)-2-hydroxy-12-methoxy-5-phenyl-7-oxa-11-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-6-yl]benzonitrile
CID 166777497
(2R,4S,5S,6R)-10-chloro-2-methoxy-6-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxamide
CID 129180257
N,N-dimethylethanamine;4-[(2R,5S,6R)-2-hydroxy-12-methoxy-5-phenyl-7-oxa-10-azatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-6-yl]benzonitrile
CID 145318792
4-(10-chloro-2-hydroxy-12-methoxy-5-phenyl-7-oxa-11-azatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-6-yl)benzonitrile;N-methylmethanamine
CID 145318885
methyl (1R,9R,10S,11S)-1-hydroxy-5-methoxy-9-(4-methoxyphenyl)-12-oxo-10-phenyl-8-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carboxylate
CID 175767159
(2S,3R,4R,5S,6R)-2,3-dihydroxy-10-isocyano-6-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxamide
CID 140787866

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;10-methoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-2-ol?
The IUPAC name of N,N-dimethylformamide;10-methoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-2-ol (CID 145319168) is N,N-dimethylformamide;10-methoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-2-ol.
What is the SMILES notation for N,N-dimethylformamide;10-methoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-2-ol?
The canonical SMILES for N,N-dimethylformamide;10-methoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-2-ol is CN(C)C=O.COc1ccc(C23Oc4cc(OC)cnc4C2(O)CCC3c2ccccc2)cc1.
What is the InChIKey of N,N-dimethylformamide;10-methoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-2-ol?
The InChIKey is YUQHBMZHCRFVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4.C3H7NO/c1-27-18-10-8-17(9-11-18)24-20(16-6-4-3-5-7-16)12-13-23(24,26)22-21(29-24)14-19(28-2)15-25-22;1-4(2)3-5/h3-11,14-15,20,26H,12-13H2,1-2H3;3H,1-2H3.
What are the key properties of N,N-dimethylformamide;10-methoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-2-ol?
N,N-dimethylformamide;10-methoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-2-ol has a molecular weight of 462.55 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;10-methoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-2-ol is sourced from PubChem (CID 145319168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).