N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-2-(3-fluorophenoxy)acetamide

C18H24FNO4 — CID 91761705

IUPACN-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-2-(3-fluorophenoxy)acetamide
SMILESO=C(COc1cccc(F)c1)N[C@@H]1COCC[C@@H]1OCC1CCC1
InChIInChI=1S/C18H24FNO4/c19-14-5-2-6-15(9-14)23-12-18(21)20-16-11-22-8-7-17(16)24-10-13-3-1-4-13/h2,5-6,9,13,16-17H,1,3-4,7-8,10-12H2,(H,20,21)/t16-,17+/m1/s1
InChIKeyHXMPYINXINQEDX-SJORKVTESA-N
MW337.39 g/mol
LogP2.29
Rot. Bonds7

About N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-2-(3-fluorophenoxy)acetamide

N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-2-(3-fluorophenoxy)acetamide (PubChem CID 91761705) has the molecular formula C18H24FNO4 and a molecular weight of 337.39 g/mol. Its IUPAC name is N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-2-(3-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-2-(3-fluorophenoxy)acetamide
PubChem CID91761705
Molecular FormulaC18H24FNO4
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC NameN-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-2-(3-fluorophenoxy)acetamide
SMILESO=C(COc1cccc(F)c1)N[C@@H]1COCC[C@@H]1OCC1CCC1
InChIInChI=1S/C18H24FNO4/c19-14-5-2-6-15(9-14)23-12-18(21)20-16-11-22-8-7-17(16)24-10-13-3-1-4-13/h2,5-6,9,13,16-17H,1,3-4,7-8,10-12H2,(H,20,21)/t16-,17+/m1/s1
InChIKeyHXMPYINXINQEDX-SJORKVTESA-N
XLogP2.29
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 156609137
2-[2-[[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]amino]-2-oxoethoxy]acetamide
CID 91796753
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(3-fluorophenoxy)acetamide
CID 91788685
2-(3-fluorophenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide
CID 91785233
2-(3-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide
CID 91787465
2-[(3R,4S)-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]oxan-4-yl]oxyacetic acid
CID 91771663
N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-pyrazin-2-ylpropanamide
CID 91788580
1-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-3-propylurea
CID 91774796
N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-3-(2,4-difluorophenyl)propanamide
CID 91767604
2-[(3R,4S)-3-[(3-fluorophenyl)methylcarbamoylamino]oxan-4-yl]oxyacetic acid
CID 91772905
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 91794535
2-ethyl-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]butanamide
CID 91792235

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-2-(3-fluorophenoxy)acetamide?
The IUPAC name of N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-2-(3-fluorophenoxy)acetamide (CID 91761705) is N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-2-(3-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-2-(3-fluorophenoxy)acetamide?
The canonical SMILES for N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-2-(3-fluorophenoxy)acetamide is O=C(COc1cccc(F)c1)N[C@@H]1COCC[C@@H]1OCC1CCC1.
What is the InChIKey of N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-2-(3-fluorophenoxy)acetamide?
The InChIKey is HXMPYINXINQEDX-SJORKVTESA-N. The full InChI is InChI=1S/C18H24FNO4/c19-14-5-2-6-15(9-14)23-12-18(21)20-16-11-22-8-7-17(16)24-10-13-3-1-4-13/h2,5-6,9,13,16-17H,1,3-4,7-8,10-12H2,(H,20,21)/t16-,17+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-2-(3-fluorophenoxy)acetamide?
N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-2-(3-fluorophenoxy)acetamide has a molecular weight of 337.39 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-2-(3-fluorophenoxy)acetamide is sourced from PubChem (CID 91761705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).