N-[(2R)-1-fluoro-3-(4-phenylmethoxycyclohexyl)oxypropan-2-yl]-N-methylacetamide

C19H28FNO3 — CID 138474170

IUPACN-[(2R)-1-fluoro-3-(4-phenylmethoxycyclohexyl)oxypropan-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@@H](CF)COC1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C19H28FNO3/c1-15(22)21(2)17(12-20)14-24-19-10-8-18(9-11-19)23-13-16-6-4-3-5-7-16/h3-7,17-19H,8-14H2,1-2H3/t17-,18?,19?/m0/s1
InChIKeyVCTDUFJPSCRKIR-VIQWUECVSA-N
MW337.44 g/mol
LogP3.35
Rot. Bonds8

About N-[(2R)-1-fluoro-3-(4-phenylmethoxycyclohexyl)oxypropan-2-yl]-N-methylacetamide

N-[(2R)-1-fluoro-3-(4-phenylmethoxycyclohexyl)oxypropan-2-yl]-N-methylacetamide (PubChem CID 138474170) has the molecular formula C19H28FNO3 and a molecular weight of 337.44 g/mol. Its IUPAC name is N-[(2R)-1-fluoro-3-(4-phenylmethoxycyclohexyl)oxypropan-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(2R)-1-fluoro-3-(4-phenylmethoxycyclohexyl)oxypropan-2-yl]-N-methylacetamide
PubChem CID138474170
Molecular FormulaC19H28FNO3
Molecular Weight337.44 g/mol
Exact Mass337.21
IUPAC NameN-[(2R)-1-fluoro-3-(4-phenylmethoxycyclohexyl)oxypropan-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@@H](CF)COC1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C19H28FNO3/c1-15(22)21(2)17(12-20)14-24-19-10-8-18(9-11-19)23-13-16-6-4-3-5-7-16/h3-7,17-19H,8-14H2,1-2H3/t17-,18?,19?/m0/s1
InChIKeyVCTDUFJPSCRKIR-VIQWUECVSA-N
XLogP3.35
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methoxy-N-methyl-4-phenylmethoxycyclohexane-1-carboxamide
CID 86642923
4-(4-phenylmethoxycyclohexyl)butan-2-one
CID 67412875
1-(4-phenylmethoxycyclohexyl)butan-2-one
CID 91074255
(4-phenylmethoxycyclohexyl) 4-methylcyclohexane-1-carboxylate
CID 144529311
azane;cyclopentyloxymethylbenzene
CID 69411306
(3-phenylmethoxycyclopentanecarbonyl) 3-phenylmethoxycyclopentane-1-carboxylate
CID 141325822
2-(dimethylamino)-3-methoxy-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one
CID 166324342
[(5R)-5-phenylmethoxyoxan-2-yl] acetate
CID 102211258
(4-phenylcyclohexyl)oxymethylbenzene
CID 11043723
(4-propylcyclohexyl)oxymethylbenzene
CID 147199890
benzyl N-cyclopropyloxy-N-methylcarbamate
CID 169312845
N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-fluoro-3-(4-phenylmethoxycyclohexyl)oxypropan-2-yl]-N-methylacetamide?
The IUPAC name of N-[(2R)-1-fluoro-3-(4-phenylmethoxycyclohexyl)oxypropan-2-yl]-N-methylacetamide (CID 138474170) is N-[(2R)-1-fluoro-3-(4-phenylmethoxycyclohexyl)oxypropan-2-yl]-N-methylacetamide.
What is the SMILES notation for N-[(2R)-1-fluoro-3-(4-phenylmethoxycyclohexyl)oxypropan-2-yl]-N-methylacetamide?
The canonical SMILES for N-[(2R)-1-fluoro-3-(4-phenylmethoxycyclohexyl)oxypropan-2-yl]-N-methylacetamide is CC(=O)N(C)[C@@H](CF)COC1CCC(OCc2ccccc2)CC1.
What is the InChIKey of N-[(2R)-1-fluoro-3-(4-phenylmethoxycyclohexyl)oxypropan-2-yl]-N-methylacetamide?
The InChIKey is VCTDUFJPSCRKIR-VIQWUECVSA-N. The full InChI is InChI=1S/C19H28FNO3/c1-15(22)21(2)17(12-20)14-24-19-10-8-18(9-11-19)23-13-16-6-4-3-5-7-16/h3-7,17-19H,8-14H2,1-2H3/t17-,18?,19?/m0/s1.
What are the key properties of N-[(2R)-1-fluoro-3-(4-phenylmethoxycyclohexyl)oxypropan-2-yl]-N-methylacetamide?
N-[(2R)-1-fluoro-3-(4-phenylmethoxycyclohexyl)oxypropan-2-yl]-N-methylacetamide has a molecular weight of 337.44 g/mol, XLogP of 3.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-fluoro-3-(4-phenylmethoxycyclohexyl)oxypropan-2-yl]-N-methylacetamide is sourced from PubChem (CID 138474170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).