10-(3-morpholin-4-ylpropyl)-1,8-diphenyl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene

C29H32N2O2 — CID 14208769

IUPAC10-(3-morpholin-4-ylpropyl)-1,8-diphenyl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
SMILESc1ccc(C23CN(CCCN4CCOCC4)CC(c4ccccc4)(O2)c2ccccc23)cc1
InChIInChI=1S/C29H32N2O2/c1-3-10-24(11-4-1)28-22-31(17-9-16-30-18-20-32-21-19-30)23-29(33-28,25-12-5-2-6-13-25)27-15-8-7-14-26(27)28/h1-8,10-15H,9,16-23H2
InChIKeyYGDMQDVDCPIPQA-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.24
Rot. Bonds6

About 10-(3-morpholin-4-ylpropyl)-1,8-diphenyl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene

10-(3-morpholin-4-ylpropyl)-1,8-diphenyl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene (PubChem CID 14208769) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 10-(3-morpholin-4-ylpropyl)-1,8-diphenyl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene.

Molecular Properties

Compound Name10-(3-morpholin-4-ylpropyl)-1,8-diphenyl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
PubChem CID14208769
Molecular FormulaC29H32N2O2
Molecular Weight440.59 g/mol
Exact Mass440.25
IUPAC Name10-(3-morpholin-4-ylpropyl)-1,8-diphenyl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
SMILESc1ccc(C23CN(CCCN4CCOCC4)CC(c4ccccc4)(O2)c2ccccc23)cc1
InChIInChI=1S/C29H32N2O2/c1-3-10-24(11-4-1)28-22-31(17-9-16-30-18-20-32-21-19-30)23-29(33-28,25-12-5-2-6-13-25)27-15-8-7-14-26(27)28/h1-8,10-15H,9,16-23H2
InChIKeyYGDMQDVDCPIPQA-UHFFFAOYSA-N
XLogP4.24
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-morpholin-4-ylpropyl)-3-phenyl-1-benzofuran-2-one;hydrochloride
CID 138400585
7,16-bis[12-(16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)dodecyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 10418954
4-(4-phenylsulfanylbutyl)morpholine
CID 2993740
3-(2-morpholin-4-ylethyl)-3-phenyl-1-benzofuran-2-one;hydrochloride
CID 138400584
methane;4-(2-phenylethyl)morpholine
CID 143698819
4-[3-(benzenesulfonyl)propyl]morpholine;hydrochloride
CID 3029441
4-[3-[3-(3-morpholin-4-ylpropyl)naphthalen-2-yl]propyl]morpholine
CID 170869299
4-[3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine
CID 110457303
2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpropan-1-amine
CID 43769529
4-(7,7-diphenyl-1,4-oxazepan-4-yl)butanenitrile
CID 21418258
CID 21152560
CID 21152560
2-(4-morpholin-4-ylbutyl)phenol
CID 142043469

Frequently Asked Questions

What is the IUPAC name of 10-(3-morpholin-4-ylpropyl)-1,8-diphenyl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene?
The IUPAC name of 10-(3-morpholin-4-ylpropyl)-1,8-diphenyl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene (CID 14208769) is 10-(3-morpholin-4-ylpropyl)-1,8-diphenyl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene.
What is the SMILES notation for 10-(3-morpholin-4-ylpropyl)-1,8-diphenyl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene?
The canonical SMILES for 10-(3-morpholin-4-ylpropyl)-1,8-diphenyl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene is c1ccc(C23CN(CCCN4CCOCC4)CC(c4ccccc4)(O2)c2ccccc23)cc1.
What is the InChIKey of 10-(3-morpholin-4-ylpropyl)-1,8-diphenyl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene?
The InChIKey is YGDMQDVDCPIPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O2/c1-3-10-24(11-4-1)28-22-31(17-9-16-30-18-20-32-21-19-30)23-29(33-28,25-12-5-2-6-13-25)27-15-8-7-14-26(27)28/h1-8,10-15H,9,16-23H2.
What are the key properties of 10-(3-morpholin-4-ylpropyl)-1,8-diphenyl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene?
10-(3-morpholin-4-ylpropyl)-1,8-diphenyl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene has a molecular weight of 440.59 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-morpholin-4-ylpropyl)-1,8-diphenyl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene is sourced from PubChem (CID 14208769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).