N-[(5S,6S,8R,10S)-5-(4-fluorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide

C20H26FNO2 — CID 110134140

IUPACN-[(5S,6S,8R,10S)-5-(4-fluorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide
SMILESCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(F)cc4)OCCC31C2
InChIInChI=1S/C20H26FNO2/c1-12(23)22-18-19(2,3)14-10-16-17(13-4-6-15(21)7-5-13)24-9-8-20(16,18)11-14/h4-7,14,16-18H,8-11H2,1-3H3,(H,22,23)/t14-,16-,17-,18+,20?/m1/s1
InChIKeyDFSIDQQNHQSIKL-JDOLCKHVSA-N
MW331.43 g/mol
LogP3.84
Rot. Bonds2

About N-[(5S,6S,8R,10S)-5-(4-fluorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide

N-[(5S,6S,8R,10S)-5-(4-fluorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide (PubChem CID 110134140) has the molecular formula C20H26FNO2 and a molecular weight of 331.43 g/mol. Its IUPAC name is N-[(5S,6S,8R,10S)-5-(4-fluorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide.

Molecular Properties

Compound NameN-[(5S,6S,8R,10S)-5-(4-fluorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide
PubChem CID110134140
Molecular FormulaC20H26FNO2
Molecular Weight331.43 g/mol
Exact Mass331.19
IUPAC NameN-[(5S,6S,8R,10S)-5-(4-fluorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide
SMILESCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(F)cc4)OCCC31C2
InChIInChI=1S/C20H26FNO2/c1-12(23)22-18-19(2,3)14-10-16-17(13-4-6-15(21)7-5-13)24-9-8-20(16,18)11-14/h4-7,14,16-18H,8-11H2,1-3H3,(H,22,23)/t14-,16-,17-,18+,20?/m1/s1
InChIKeyDFSIDQQNHQSIKL-JDOLCKHVSA-N
XLogP3.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5S,6S,8R,10S)-5-(4-fluorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R,4R,4aS,7aR)-2-[3-(3-fluorophenyl)phenyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-yl]acetamide
CID 110133910
N-[(2R,4R,4aS,7aR)-2-[3-(4-fluorophenyl)phenyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-yl]acetamide
CID 110152940
N-[(2R,4R,4aS,7aR)-2-[4-(3-fluorophenyl)phenyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-yl]acetamide
CID 110133909
N-[(5S,6S,8R,10S)-5-(4-fluorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide
CID 110134141
N-[(5S,6S,8R,10S)-5-(4-fluorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide
CID 110134142
N-[(5S,6S,8R,10S)-5-(4-fluorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-3-methoxypropanamide
CID 110134143
N-[(5S,6S,8R,10S)-5-(2-fluorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide
CID 110134170
N-[(5S,6S,8R,10S)-5-(2-fluorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide
CID 110134171
N-[(5S,6S,8R,10S)-5-(2-fluorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide
CID 110134172
N-[(5S,6S,8R,10S)-5-(2-fluorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-3-methoxypropanamide
CID 110134173
N-[(5S,6S,8R,10S)-5-(2-fluorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-3-hydroxypropanamide
CID 110134174
N-[(5S,6S,8R,10S)-5-(3-fluorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide
CID 110134175

Frequently Asked Questions

What is the IUPAC name of N-[(5S,6S,8R,10S)-5-(4-fluorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide?
The IUPAC name of N-[(5S,6S,8R,10S)-5-(4-fluorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide (CID 110134140) is N-[(5S,6S,8R,10S)-5-(4-fluorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide.
What is the SMILES notation for N-[(5S,6S,8R,10S)-5-(4-fluorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide?
The canonical SMILES for N-[(5S,6S,8R,10S)-5-(4-fluorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide is CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(F)cc4)OCCC31C2.
What is the InChIKey of N-[(5S,6S,8R,10S)-5-(4-fluorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide?
The InChIKey is DFSIDQQNHQSIKL-JDOLCKHVSA-N. The full InChI is InChI=1S/C20H26FNO2/c1-12(23)22-18-19(2,3)14-10-16-17(13-4-6-15(21)7-5-13)24-9-8-20(16,18)11-14/h4-7,14,16-18H,8-11H2,1-3H3,(H,22,23)/t14-,16-,17-,18+,20?/m1/s1.
What are the key properties of N-[(5S,6S,8R,10S)-5-(4-fluorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide?
N-[(5S,6S,8R,10S)-5-(4-fluorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide has a molecular weight of 331.43 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S,6S,8R,10S)-5-(4-fluorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide is sourced from PubChem (CID 110134140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).