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

C21H28FNO2 — CID 110134141

IUPACN-[(5S,6S,8R,10S)-5-(4-fluorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide
SMILESCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(F)cc4)OCCC31C2
InChIInChI=1S/C21H28FNO2/c1-4-17(24)23-19-20(2,3)14-11-16-18(13-5-7-15(22)8-6-13)25-10-9-21(16,19)12-14/h5-8,14,16,18-19H,4,9-12H2,1-3H3,(H,23,24)/t14-,16-,18-,19+,21?/m1/s1
InChIKeyHZXHNCNKWNYEGM-PKRKLTFOSA-N
MW345.46 g/mol
LogP4.23
Rot. Bonds3

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

N-[(5S,6S,8R,10S)-5-(4-fluorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide (PubChem CID 110134141) has the molecular formula C21H28FNO2 and a molecular weight of 345.46 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]propanamide.

Molecular Properties

Compound NameN-[(5S,6S,8R,10S)-5-(4-fluorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide
PubChem CID110134141
Molecular FormulaC21H28FNO2
Molecular Weight345.46 g/mol
Exact Mass345.21
IUPAC NameN-[(5S,6S,8R,10S)-5-(4-fluorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide
SMILESCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(F)cc4)OCCC31C2
InChIInChI=1S/C21H28FNO2/c1-4-17(24)23-19-20(2,3)14-11-16-18(13-5-7-15(22)8-6-13)25-10-9-21(16,19)12-14/h5-8,14,16,18-19H,4,9-12H2,1-3H3,(H,23,24)/t14-,16-,18-,19+,21?/m1/s1
InChIKeyHZXHNCNKWNYEGM-PKRKLTFOSA-N
XLogP4.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 54.23
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]propanamide 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]acetamide
CID 110134140
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]propanamide?
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]propanamide (CID 110134141) is N-[(5S,6S,8R,10S)-5-(4-fluorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide.
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]propanamide?
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]propanamide is CCC(=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]propanamide?
The InChIKey is HZXHNCNKWNYEGM-PKRKLTFOSA-N. The full InChI is InChI=1S/C21H28FNO2/c1-4-17(24)23-19-20(2,3)14-11-16-18(13-5-7-15(22)8-6-13)25-10-9-21(16,19)12-14/h5-8,14,16,18-19H,4,9-12H2,1-3H3,(H,23,24)/t14-,16-,18-,19+,21?/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]propanamide?
N-[(5S,6S,8R,10S)-5-(4-fluorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide has a molecular weight of 345.46 g/mol, XLogP of 4.23, 3 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]propanamide is sourced from PubChem (CID 110134141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).