methylcyclopropane;7-methyl-14-phenylmethoxy-8-azatetracyclo[8.6.0.01,6.011,16]hexadeca-11(16),12,14-triene

C27H35NO — CID 143136321

IUPACmethylcyclopropane;7-methyl-14-phenylmethoxy-8-azatetracyclo[8.6.0.01,6.011,16]hexadeca-11(16),12,14-triene
SMILESCC1CC1.CC1NCC2c3ccc(OCc4ccccc4)cc3C23CCCCC13
InChIInChI=1S/C23H27NO.C4H8/c1-16-20-9-5-6-12-23(20)21-13-18(10-11-19(21)22(23)14-24-16)25-15-17-7-3-2-4-8-17;1-4-2-3-4/h2-4,7-8,10-11,13,16,20,22,24H,5-6,9,12,14-15H2,1H3;4H,2-3H2,1H3
InChIKeyJBIVJLOBRQIWNV-UHFFFAOYSA-N
MW389.58 g/mol
LogP6.20
Rot. Bonds3

About methylcyclopropane;7-methyl-14-phenylmethoxy-8-azatetracyclo[8.6.0.01,6.011,16]hexadeca-11(16),12,14-triene

methylcyclopropane;7-methyl-14-phenylmethoxy-8-azatetracyclo[8.6.0.01,6.011,16]hexadeca-11(16),12,14-triene (PubChem CID 143136321) has the molecular formula C27H35NO and a molecular weight of 389.58 g/mol. Its IUPAC name is methylcyclopropane;7-methyl-14-phenylmethoxy-8-azatetracyclo[8.6.0.01,6.011,16]hexadeca-11(16),12,14-triene.

Molecular Properties

Compound Namemethylcyclopropane;7-methyl-14-phenylmethoxy-8-azatetracyclo[8.6.0.01,6.011,16]hexadeca-11(16),12,14-triene
PubChem CID143136321
Molecular FormulaC27H35NO
Molecular Weight389.58 g/mol
Exact Mass389.27
IUPAC Namemethylcyclopropane;7-methyl-14-phenylmethoxy-8-azatetracyclo[8.6.0.01,6.011,16]hexadeca-11(16),12,14-triene
SMILESCC1CC1.CC1NCC2c3ccc(OCc4ccccc4)cc3C23CCCCC13
InChIInChI=1S/C23H27NO.C4H8/c1-16-20-9-5-6-12-23(20)21-13-18(10-11-19(21)22(23)14-24-16)25-15-17-7-3-2-4-8-17;1-4-2-3-4/h2-4,7-8,10-11,13,16,20,22,24H,5-6,9,12,14-15H2,1H3;4H,2-3H2,1H3
InChIKeyJBIVJLOBRQIWNV-UHFFFAOYSA-N
XLogP6.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.58
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methylcyclopropane;7-methyl-14-phenylmethoxy-8-azatetracyclo[8.6.0.01,6.011,16]hexadeca-11(16),12,14-triene?
The IUPAC name of methylcyclopropane;7-methyl-14-phenylmethoxy-8-azatetracyclo[8.6.0.01,6.011,16]hexadeca-11(16),12,14-triene (CID 143136321) is methylcyclopropane;7-methyl-14-phenylmethoxy-8-azatetracyclo[8.6.0.01,6.011,16]hexadeca-11(16),12,14-triene.
What is the SMILES notation for methylcyclopropane;7-methyl-14-phenylmethoxy-8-azatetracyclo[8.6.0.01,6.011,16]hexadeca-11(16),12,14-triene?
The canonical SMILES for methylcyclopropane;7-methyl-14-phenylmethoxy-8-azatetracyclo[8.6.0.01,6.011,16]hexadeca-11(16),12,14-triene is CC1CC1.CC1NCC2c3ccc(OCc4ccccc4)cc3C23CCCCC13.
What is the InChIKey of methylcyclopropane;7-methyl-14-phenylmethoxy-8-azatetracyclo[8.6.0.01,6.011,16]hexadeca-11(16),12,14-triene?
The InChIKey is JBIVJLOBRQIWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO.C4H8/c1-16-20-9-5-6-12-23(20)21-13-18(10-11-19(21)22(23)14-24-16)25-15-17-7-3-2-4-8-17;1-4-2-3-4/h2-4,7-8,10-11,13,16,20,22,24H,5-6,9,12,14-15H2,1H3;4H,2-3H2,1H3.
What are the key properties of methylcyclopropane;7-methyl-14-phenylmethoxy-8-azatetracyclo[8.6.0.01,6.011,16]hexadeca-11(16),12,14-triene?
methylcyclopropane;7-methyl-14-phenylmethoxy-8-azatetracyclo[8.6.0.01,6.011,16]hexadeca-11(16),12,14-triene has a molecular weight of 389.58 g/mol, XLogP of 6.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylcyclopropane;7-methyl-14-phenylmethoxy-8-azatetracyclo[8.6.0.01,6.011,16]hexadeca-11(16),12,14-triene is sourced from PubChem (CID 143136321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).