1-phenyl-N-[(29,30,31,32-tetradeuterio-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-yl)methyl]methanamine

C32H41NO8 — CID 11018009

IUPAC1-phenyl-N-[(29,30,31,32-tetradeuterio-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-yl)methyl]methanamine
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])OCCOCCOCCOc1ccc(CNCc3ccccc3)cc1OCCOCCOCCO2
InChIInChI=1S/C32H41NO8/c1-2-6-27(7-3-1)25-33-26-28-10-11-31-32(24-28)41-23-19-37-15-14-35-17-21-39-30-9-5-4-8-29(30)38-20-16-34-12-13-36-18-22-40-31/h1-11,24,33H,12-23,25-26H2/i4D,5D,8D,9D
InChIKeyYAKSBXCIDDNQNP-DOGSKSIHSA-N
MW571.70 g/mol
LogP4.27
Rot. Bonds4

About 1-phenyl-N-[(29,30,31,32-tetradeuterio-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-yl)methyl]methanamine

1-phenyl-N-[(29,30,31,32-tetradeuterio-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-yl)methyl]methanamine (PubChem CID 11018009) has the molecular formula C32H41NO8 and a molecular weight of 571.70 g/mol. Its IUPAC name is 1-phenyl-N-[(29,30,31,32-tetradeuterio-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-yl)methyl]methanamine.

Molecular Properties

Compound Name1-phenyl-N-[(29,30,31,32-tetradeuterio-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-yl)methyl]methanamine
PubChem CID11018009
Molecular FormulaC32H41NO8
Molecular Weight571.70 g/mol
Exact Mass571.31
IUPAC Name1-phenyl-N-[(29,30,31,32-tetradeuterio-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-yl)methyl]methanamine
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])OCCOCCOCCOc1ccc(CNCc3ccccc3)cc1OCCOCCOCCO2
InChIInChI=1S/C32H41NO8/c1-2-6-27(7-3-1)25-33-26-28-10-11-31-32(24-28)41-23-19-37-15-14-35-17-21-39-30-9-5-4-8-29(30)38-20-16-34-12-13-36-18-22-40-31/h1-11,24,33H,12-23,25-26H2/i4D,5D,8D,9D
InChIKeyYAKSBXCIDDNQNP-DOGSKSIHSA-N
XLogP4.27
TPSA85.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.70
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-phenyl-N-[(29,30,31,32-tetradeuterio-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-yl)methyl]methanamine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(29,30,31,32-tetradeuterio-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-yl)methyl]methanamine?
The IUPAC name of 1-phenyl-N-[(29,30,31,32-tetradeuterio-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-yl)methyl]methanamine (CID 11018009) is 1-phenyl-N-[(29,30,31,32-tetradeuterio-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-yl)methyl]methanamine.
What is the SMILES notation for 1-phenyl-N-[(29,30,31,32-tetradeuterio-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-yl)methyl]methanamine?
The canonical SMILES for 1-phenyl-N-[(29,30,31,32-tetradeuterio-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-yl)methyl]methanamine is [2H]c1c([2H])c([2H])c2c(c1[2H])OCCOCCOCCOc1ccc(CNCc3ccccc3)cc1OCCOCCOCCO2.
What is the InChIKey of 1-phenyl-N-[(29,30,31,32-tetradeuterio-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-yl)methyl]methanamine?
The InChIKey is YAKSBXCIDDNQNP-DOGSKSIHSA-N. The full InChI is InChI=1S/C32H41NO8/c1-2-6-27(7-3-1)25-33-26-28-10-11-31-32(24-28)41-23-19-37-15-14-35-17-21-39-30-9-5-4-8-29(30)38-20-16-34-12-13-36-18-22-40-31/h1-11,24,33H,12-23,25-26H2/i4D,5D,8D,9D.
What are the key properties of 1-phenyl-N-[(29,30,31,32-tetradeuterio-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-yl)methyl]methanamine?
1-phenyl-N-[(29,30,31,32-tetradeuterio-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-yl)methyl]methanamine has a molecular weight of 571.70 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(29,30,31,32-tetradeuterio-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-yl)methyl]methanamine is sourced from PubChem (CID 11018009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).