N-[(1R,3R)-5-fluoro-2-adamantyl]-2-(3-methoxy-5-methylphenyl)-2-methylpropanamide

C22H30FNO2 — CID 59658186

IUPACN-[(1R,3R)-5-fluoro-2-adamantyl]-2-(3-methoxy-5-methylphenyl)-2-methylpropanamide
SMILESCOc1cc(C)cc(C(C)(C)C(=O)NC2[C@@H]3CC4C[C@@H]2CC(F)(C4)C3)c1
InChIInChI=1S/C22H30FNO2/c1-13-5-17(9-18(6-13)26-4)21(2,3)20(25)24-19-15-7-14-8-16(19)12-22(23,10-14)11-15/h5-6,9,14-16,19H,7-8,10-12H2,1-4H3,(H,24,25)/t14?,15-,16-,19?,22?/m1/s1
InChIKeyKUZAWLYGRZOPEL-VGJXUBOBSA-N
MW359.49 g/mol
LogP4.31
Rot. Bonds4

About N-[(1R,3R)-5-fluoro-2-adamantyl]-2-(3-methoxy-5-methylphenyl)-2-methylpropanamide

N-[(1R,3R)-5-fluoro-2-adamantyl]-2-(3-methoxy-5-methylphenyl)-2-methylpropanamide (PubChem CID 59658186) has the molecular formula C22H30FNO2 and a molecular weight of 359.49 g/mol. Its IUPAC name is N-[(1R,3R)-5-fluoro-2-adamantyl]-2-(3-methoxy-5-methylphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1R,3R)-5-fluoro-2-adamantyl]-2-(3-methoxy-5-methylphenyl)-2-methylpropanamide
PubChem CID59658186
Molecular FormulaC22H30FNO2
Molecular Weight359.49 g/mol
Exact Mass359.23
IUPAC NameN-[(1R,3R)-5-fluoro-2-adamantyl]-2-(3-methoxy-5-methylphenyl)-2-methylpropanamide
SMILESCOc1cc(C)cc(C(C)(C)C(=O)NC2[C@@H]3CC4C[C@@H]2CC(F)(C4)C3)c1
InChIInChI=1S/C22H30FNO2/c1-13-5-17(9-18(6-13)26-4)21(2,3)20(25)24-19-15-7-14-8-16(19)12-22(23,10-14)11-15/h5-6,9,14-16,19H,7-8,10-12H2,1-4H3,(H,24,25)/t14?,15-,16-,19?,22?/m1/s1
InChIKeyKUZAWLYGRZOPEL-VGJXUBOBSA-N
XLogP4.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-5-fluoro-2-adamantyl]-2-(3-methoxy-5-methylphenyl)-2-methylpropanamide?
The IUPAC name of N-[(1R,3R)-5-fluoro-2-adamantyl]-2-(3-methoxy-5-methylphenyl)-2-methylpropanamide (CID 59658186) is N-[(1R,3R)-5-fluoro-2-adamantyl]-2-(3-methoxy-5-methylphenyl)-2-methylpropanamide.
What is the SMILES notation for N-[(1R,3R)-5-fluoro-2-adamantyl]-2-(3-methoxy-5-methylphenyl)-2-methylpropanamide?
The canonical SMILES for N-[(1R,3R)-5-fluoro-2-adamantyl]-2-(3-methoxy-5-methylphenyl)-2-methylpropanamide is COc1cc(C)cc(C(C)(C)C(=O)NC2[C@@H]3CC4C[C@@H]2CC(F)(C4)C3)c1.
What is the InChIKey of N-[(1R,3R)-5-fluoro-2-adamantyl]-2-(3-methoxy-5-methylphenyl)-2-methylpropanamide?
The InChIKey is KUZAWLYGRZOPEL-VGJXUBOBSA-N. The full InChI is InChI=1S/C22H30FNO2/c1-13-5-17(9-18(6-13)26-4)21(2,3)20(25)24-19-15-7-14-8-16(19)12-22(23,10-14)11-15/h5-6,9,14-16,19H,7-8,10-12H2,1-4H3,(H,24,25)/t14?,15-,16-,19?,22?/m1/s1.
What are the key properties of N-[(1R,3R)-5-fluoro-2-adamantyl]-2-(3-methoxy-5-methylphenyl)-2-methylpropanamide?
N-[(1R,3R)-5-fluoro-2-adamantyl]-2-(3-methoxy-5-methylphenyl)-2-methylpropanamide has a molecular weight of 359.49 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-5-fluoro-2-adamantyl]-2-(3-methoxy-5-methylphenyl)-2-methylpropanamide is sourced from PubChem (CID 59658186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).