(2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide

C16H21F2NO4 — CID 95281098

IUPAC(2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
SMILESCc1cccc(OC(F)F)c1NC(=O)[C@H](C)OC[C@@H]1CCCO1
InChIInChI=1S/C16H21F2NO4/c1-10-5-3-7-13(23-16(17)18)14(10)19-15(20)11(2)22-9-12-6-4-8-21-12/h3,5,7,11-12,16H,4,6,8-9H2,1-2H3,(H,19,20)/t11-,12-/m0/s1
InChIKeyXUPRFPQGJFAYNM-RYUDHWBXSA-N
MW329.34 g/mol
LogP3.12
Rot. Bonds7

About (2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide

(2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide (PubChem CID 95281098) has the molecular formula C16H21F2NO4 and a molecular weight of 329.34 g/mol. Its IUPAC name is (2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
PubChem CID95281098
Molecular FormulaC16H21F2NO4
Molecular Weight329.34 g/mol
Exact Mass329.14
IUPAC Name(2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
SMILESCc1cccc(OC(F)F)c1NC(=O)[C@H](C)OC[C@@H]1CCCO1
InChIInChI=1S/C16H21F2NO4/c1-10-5-3-7-13(23-16(17)18)14(10)19-15(20)11(2)22-9-12-6-4-8-21-12/h3,5,7,11-12,16H,4,6,8-9H2,1-2H3,(H,19,20)/t11-,12-/m0/s1
InChIKeyXUPRFPQGJFAYNM-RYUDHWBXSA-N
XLogP3.12
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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-fluoro-N'-[2-(oxolan-2-ylmethoxy)propanoyl]benzohydrazide
CID 47080643
4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
CID 97233672
N-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 48845435
N-(4-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 43097898
N-(4-fluorophenoxy)-2-(oxolan-2-ylmethoxy)propanamide
CID 126834949
3-[2-(oxan-2-ylmethoxy)propanoylamino]benzoic acid
CID 119219567
(2S)-2-amino-N-[2-(difluoromethoxy)-6-methylphenyl]propanamide;hydrochloride
CID 119312538
(2R)-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 94391895
N-methyl-4-[[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzamide
CID 95247449
(2S)-N-(1,2-dihydroacenaphthylen-5-yl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 52533675

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide?
The IUPAC name of (2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide (CID 95281098) is (2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide.
What is the SMILES notation for (2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide?
The canonical SMILES for (2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide is Cc1cccc(OC(F)F)c1NC(=O)[C@H](C)OC[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide?
The InChIKey is XUPRFPQGJFAYNM-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H21F2NO4/c1-10-5-3-7-13(23-16(17)18)14(10)19-15(20)11(2)22-9-12-6-4-8-21-12/h3,5,7,11-12,16H,4,6,8-9H2,1-2H3,(H,19,20)/t11-,12-/m0/s1.
What are the key properties of (2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide?
(2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide has a molecular weight of 329.34 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide is sourced from PubChem (CID 95281098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).