N-cyclopentyl-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropanamide

C23H28FNO2 — CID 42500679

IUPACN-cyclopentyl-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)N(Cc1cccc(OCc2ccc(F)cc2)c1)C1CCCC1
InChIInChI=1S/C23H28FNO2/c1-17(2)23(26)25(21-7-3-4-8-21)15-19-6-5-9-22(14-19)27-16-18-10-12-20(24)13-11-18/h5-6,9-14,17,21H,3-4,7-8,15-16H2,1-2H3
InChIKeyCUGOQYLERYFCMV-UHFFFAOYSA-N
MW369.48 g/mol
LogP5.33
Rot. Bonds7

About N-cyclopentyl-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropanamide

N-cyclopentyl-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropanamide (PubChem CID 42500679) has the molecular formula C23H28FNO2 and a molecular weight of 369.48 g/mol. Its IUPAC name is N-cyclopentyl-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropanamide
PubChem CID42500679
Molecular FormulaC23H28FNO2
Molecular Weight369.48 g/mol
Exact Mass369.21
IUPAC NameN-cyclopentyl-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)N(Cc1cccc(OCc2ccc(F)cc2)c1)C1CCCC1
InChIInChI=1S/C23H28FNO2/c1-17(2)23(26)25(21-7-3-4-8-21)15-19-6-5-9-22(14-19)27-16-18-10-12-20(24)13-11-18/h5-6,9-14,17,21H,3-4,7-8,15-16H2,1-2H3
InChIKeyCUGOQYLERYFCMV-UHFFFAOYSA-N
XLogP5.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.48
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclohexanecarboxamide
CID 42378699
2-[2-[3-[(4-fluorophenyl)methoxy]phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 20990188
2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide
CID 107904215
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
(1S)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-N-methyl-1-pyridin-2-ylethanamine
CID 97262096
N-cyclohexyl-2-[[2-(4-fluorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]butanamide
CID 132611759
[3-[[cyclopropyl(2-ethylhexanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 46110892
N-cyclopropyl-N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-5-methylthiophene-2-carboxamide
CID 25290549
N-(4-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropanamide
CID 42853264
1-cycloheptyl-1-[(3-methoxyphenyl)methyl]-3-(1-methoxypropan-2-yl)urea
CID 119072862
[3-[[butan-2-yl(cyclobutanecarbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 4564259
N-cyclopropyl-2,2-difluoro-N-[(4-fluorophenyl)methyl]acetamide
CID 103603514

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropanamide?
The IUPAC name of N-cyclopentyl-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropanamide (CID 42500679) is N-cyclopentyl-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-cyclopentyl-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropanamide?
The canonical SMILES for N-cyclopentyl-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropanamide is CC(C)C(=O)N(Cc1cccc(OCc2ccc(F)cc2)c1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropanamide?
The InChIKey is CUGOQYLERYFCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO2/c1-17(2)23(26)25(21-7-3-4-8-21)15-19-6-5-9-22(14-19)27-16-18-10-12-20(24)13-11-18/h5-6,9-14,17,21H,3-4,7-8,15-16H2,1-2H3.
What are the key properties of N-cyclopentyl-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropanamide?
N-cyclopentyl-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropanamide has a molecular weight of 369.48 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 42500679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).