(2S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide

C18H24FNO3 — CID 98762105

IUPAC(2S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
SMILESC[C@H](OC[C@H]1CCCO1)C(=O)N[C@@H](c1ccc(F)cc1)C1CC1
InChIInChI=1S/C18H24FNO3/c1-12(23-11-16-3-2-10-22-16)18(21)20-17(13-4-5-13)14-6-8-15(19)9-7-14/h6-9,12-13,16-17H,2-5,10-11H2,1H3,(H,20,21)/t12-,16+,17+/m0/s1
InChIKeyKDGWFFSYEOGSPR-JCURWCKSSA-N
MW321.39 g/mol
LogP2.98
Rot. Bonds7

About (2S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide

(2S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide (PubChem CID 98762105) has the molecular formula C18H24FNO3 and a molecular weight of 321.39 g/mol. Its IUPAC name is (2S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
PubChem CID98762105
Molecular FormulaC18H24FNO3
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name(2S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
SMILESC[C@H](OC[C@H]1CCCO1)C(=O)N[C@@H](c1ccc(F)cc1)C1CC1
InChIInChI=1S/C18H24FNO3/c1-12(23-11-16-3-2-10-22-16)18(21)20-17(13-4-5-13)14-6-8-15(19)9-7-14/h6-9,12-13,16-17H,2-5,10-11H2,1H3,(H,20,21)/t12-,16+,17+/m0/s1
InChIKeyKDGWFFSYEOGSPR-JCURWCKSSA-N
XLogP2.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenoxy)-2-(oxolan-2-ylmethoxy)propanamide
CID 126834949
(2S)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95325759
4-fluoro-N'-[2-(oxolan-2-ylmethoxy)propanoyl]benzohydrazide
CID 47080643
(2S)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
CID 95325731
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]propanamide
CID 100842096
(2R)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 124835398
(2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide
CID 52539512
(2R)-N-[(2R)-1-(2-fluorophenoxy)propan-2-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
CID 95154419
2-[2-(oxolan-2-ylmethoxy)propanoylamino]butanoic acid
CID 119224066
(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823131
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823133
4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
CID 97233672

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide?
The IUPAC name of (2S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide (CID 98762105) is (2S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide.
What is the SMILES notation for (2S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide?
The canonical SMILES for (2S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide is C[C@H](OC[C@H]1CCCO1)C(=O)N[C@@H](c1ccc(F)cc1)C1CC1.
What is the InChIKey of (2S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide?
The InChIKey is KDGWFFSYEOGSPR-JCURWCKSSA-N. The full InChI is InChI=1S/C18H24FNO3/c1-12(23-11-16-3-2-10-22-16)18(21)20-17(13-4-5-13)14-6-8-15(19)9-7-14/h6-9,12-13,16-17H,2-5,10-11H2,1H3,(H,20,21)/t12-,16+,17+/m0/s1.
What are the key properties of (2S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide?
(2S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide has a molecular weight of 321.39 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide is sourced from PubChem (CID 98762105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).