3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]-N-propan-2-ylpropanamide

C17H23F2NO2 — CID 21366335

IUPAC3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(CC1CCC1)OCc1cc(F)cc(F)c1
InChIInChI=1S/C17H23F2NO2/c1-11(2)20-17(21)16(8-12-4-3-5-12)22-10-13-6-14(18)9-15(19)7-13/h6-7,9,11-12,16H,3-5,8,10H2,1-2H3,(H,20,21)
InChIKeyOGXNPWMPOLCSRI-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.56
Rot. Bonds7

About 3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]-N-propan-2-ylpropanamide

3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]-N-propan-2-ylpropanamide (PubChem CID 21366335) has the molecular formula C17H23F2NO2 and a molecular weight of 311.37 g/mol. Its IUPAC name is 3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]-N-propan-2-ylpropanamide
PubChem CID21366335
Molecular FormulaC17H23F2NO2
Molecular Weight311.37 g/mol
Exact Mass311.17
IUPAC Name3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(CC1CCC1)OCc1cc(F)cc(F)c1
InChIInChI=1S/C17H23F2NO2/c1-11(2)20-17(21)16(8-12-4-3-5-12)22-10-13-6-14(18)9-15(19)7-13/h6-7,9,11-12,16H,3-5,8,10H2,1-2H3,(H,20,21)
InChIKeyOGXNPWMPOLCSRI-UHFFFAOYSA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3230480
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N-cyclooctyl-2-methoxy-2-phenylacetamide
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[(1R)-3-methyl-1-[[(2S)-3-phenyl-2-phenylmethoxypropanoyl]amino]butyl]boronic acid
CID 145963178
[2-(Cyclohexylamino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate
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[1-[2-(Cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2,6-difluorobenzoate
CID 3976873
N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 3452814
N-[(2S)-1-(4-acetamidobutylamino)-4-methyl-1-oxopentan-2-yl]-3-phenyloxirane-2-carboxamide
CID 89737541
Acetic acid cyclohexylcarbamoyl-phenyl-methyl ester
CID 646446
N-(2,4-dimethylpentan-3-yl)-2-methoxy-2-phenylacetamide
CID 2897080
[(2R)-4-methyl-1-[[(2R)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl] (2S)-3-methyl-2-[[(2R)-2-phenylmethoxypropanoyl]amino]butanoate
CID 45270508
Acetic acid cyclohexylcarbamoyl-m-tolyl-methyl ester
CID 3230529

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]-N-propan-2-ylpropanamide?
The IUPAC name of 3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]-N-propan-2-ylpropanamide (CID 21366335) is 3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(CC1CCC1)OCc1cc(F)cc(F)c1.
What is the InChIKey of 3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]-N-propan-2-ylpropanamide?
The InChIKey is OGXNPWMPOLCSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO2/c1-11(2)20-17(21)16(8-12-4-3-5-12)22-10-13-6-14(18)9-15(19)7-13/h6-7,9,11-12,16H,3-5,8,10H2,1-2H3,(H,20,21).
What are the key properties of 3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]-N-propan-2-ylpropanamide?
3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]-N-propan-2-ylpropanamide has a molecular weight of 311.37 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]-N-propan-2-ylpropanamide is sourced from PubChem (CID 21366335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).