N-[(5S,6S,8R,10R)-5-[2-(difluoromethoxy)-3-methoxyphenyl]-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide

C24H33F2NO4 — CID 110135040

IUPACN-[(5S,6S,8R,10R)-5-[2-(difluoromethoxy)-3-methoxyphenyl]-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide
SMILESCOc1cccc([C@H]2OCCC34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(=O)C(C)C)c1OC(F)F
InChIInChI=1S/C24H33F2NO4/c1-13(2)20(28)27-21-23(3,4)14-11-16-18(30-10-9-24(16,21)12-14)15-7-6-8-17(29-5)19(15)31-22(25)26/h6-8,13-14,16,18,21-22H,9-12H2,1-5H3,(H,27,28)/t14-,16-,18-,21-,24?/m1/s1
InChIKeyVJDMDQACAPNFHE-SXGORLIOSA-N
MW437.53 g/mol
LogP4.95
Rot. Bonds6

About N-[(5S,6S,8R,10R)-5-[2-(difluoromethoxy)-3-methoxyphenyl]-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide

N-[(5S,6S,8R,10R)-5-[2-(difluoromethoxy)-3-methoxyphenyl]-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide (PubChem CID 110135040) has the molecular formula C24H33F2NO4 and a molecular weight of 437.53 g/mol. Its IUPAC name is N-[(5S,6S,8R,10R)-5-[2-(difluoromethoxy)-3-methoxyphenyl]-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(5S,6S,8R,10R)-5-[2-(difluoromethoxy)-3-methoxyphenyl]-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide
PubChem CID110135040
Molecular FormulaC24H33F2NO4
Molecular Weight437.53 g/mol
Exact Mass437.24
IUPAC NameN-[(5S,6S,8R,10R)-5-[2-(difluoromethoxy)-3-methoxyphenyl]-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide
SMILESCOc1cccc([C@H]2OCCC34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(=O)C(C)C)c1OC(F)F
InChIInChI=1S/C24H33F2NO4/c1-13(2)20(28)27-21-23(3,4)14-11-16-18(30-10-9-24(16,21)12-14)15-7-6-8-17(29-5)19(15)31-22(25)26/h6-8,13-14,16,18,21-22H,9-12H2,1-5H3,(H,27,28)/t14-,16-,18-,21-,24?/m1/s1
InChIKeyVJDMDQACAPNFHE-SXGORLIOSA-N
XLogP4.95
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5S,6S,8R,10R)-5-[2-(difluoromethoxy)-3-methoxyphenyl]-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(5S,6S,8R,10R)-5-[2-(difluoromethoxy)-3-methoxyphenyl]-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide?
The IUPAC name of N-[(5S,6S,8R,10R)-5-[2-(difluoromethoxy)-3-methoxyphenyl]-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide (CID 110135040) is N-[(5S,6S,8R,10R)-5-[2-(difluoromethoxy)-3-methoxyphenyl]-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(5S,6S,8R,10R)-5-[2-(difluoromethoxy)-3-methoxyphenyl]-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide?
The canonical SMILES for N-[(5S,6S,8R,10R)-5-[2-(difluoromethoxy)-3-methoxyphenyl]-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide is COc1cccc([C@H]2OCCC34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(=O)C(C)C)c1OC(F)F.
What is the InChIKey of N-[(5S,6S,8R,10R)-5-[2-(difluoromethoxy)-3-methoxyphenyl]-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide?
The InChIKey is VJDMDQACAPNFHE-SXGORLIOSA-N. The full InChI is InChI=1S/C24H33F2NO4/c1-13(2)20(28)27-21-23(3,4)14-11-16-18(30-10-9-24(16,21)12-14)15-7-6-8-17(29-5)19(15)31-22(25)26/h6-8,13-14,16,18,21-22H,9-12H2,1-5H3,(H,27,28)/t14-,16-,18-,21-,24?/m1/s1.
What are the key properties of N-[(5S,6S,8R,10R)-5-[2-(difluoromethoxy)-3-methoxyphenyl]-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide?
N-[(5S,6S,8R,10R)-5-[2-(difluoromethoxy)-3-methoxyphenyl]-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide has a molecular weight of 437.53 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S,6S,8R,10R)-5-[2-(difluoromethoxy)-3-methoxyphenyl]-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide is sourced from PubChem (CID 110135040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).