N,N-diethyl-2,2-difluoro-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]acetamide

C19H25F2NO3 — CID 134842682

IUPACN,N-diethyl-2,2-difluoro-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]acetamide
SMILESCCN(CC)C(=O)C(F)(F)C1=COC(COCc2ccccc2)CC1
InChIInChI=1S/C19H25F2NO3/c1-3-22(4-2)18(23)19(20,21)16-10-11-17(25-13-16)14-24-12-15-8-6-5-7-9-15/h5-9,13,17H,3-4,10-12,14H2,1-2H3
InChIKeyBPHFGSZPDMFDAM-UHFFFAOYSA-N
MW353.41 g/mol
LogP3.77
Rot. Bonds8

About N,N-diethyl-2,2-difluoro-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]acetamide

N,N-diethyl-2,2-difluoro-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]acetamide (PubChem CID 134842682) has the molecular formula C19H25F2NO3 and a molecular weight of 353.41 g/mol. Its IUPAC name is N,N-diethyl-2,2-difluoro-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2,2-difluoro-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]acetamide
PubChem CID134842682
Molecular FormulaC19H25F2NO3
Molecular Weight353.41 g/mol
Exact Mass353.18
IUPAC NameN,N-diethyl-2,2-difluoro-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]acetamide
SMILESCCN(CC)C(=O)C(F)(F)C1=COC(COCc2ccccc2)CC1
InChIInChI=1S/C19H25F2NO3/c1-3-22(4-2)18(23)19(20,21)16-10-11-17(25-13-16)14-24-12-15-8-6-5-7-9-15/h5-9,13,17H,3-4,10-12,14H2,1-2H3
InChIKeyBPHFGSZPDMFDAM-UHFFFAOYSA-N
XLogP3.77
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Benzyloxy-cyclohexa-1,3-dienyl)-N-methyl-N-phenethyl-acetamide
CID 44356239
2-Cyclopentyl-1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]ethanone
CID 53008491
2-Cyclopentyl-1-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone
CID 53150601
1-(4-{2-[(4-Fluorophenyl)methoxy]ethyl}piperidin-1-YL)-3-methylbutan-1-one
CID 53150602
N-(2,4-dimethylphenyl)-2-methyl-5-[5-(pyrrolidin-1-ylcarbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53150651
2-Cyclopentyl-1-(4-{2-[(2-fluorobenzyl)oxy]ethyl}piperidino)-1-ethanone
CID 53150662
N-(2,5-difluorophenyl)-2-({6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl}thio)acetamide
CID 53150663
2,2-difluoro-1-morpholin-4-yl-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]ethanone
CID 134842569
1-(4-(Benzyloxy)azepan-1-yl)-2,2,2-trifluoroethan-1-one
CID 172418698
Benzyl 4-[3-oxo-3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboxylate
CID 178250458
5-(Benzyloxy)-N,N-diethyl-2,3,3,4,4-pentafluoropentanamide
CID 325962
3-Phenyl-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]propan-1-one
CID 46028658

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,2-difluoro-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]acetamide?
The IUPAC name of N,N-diethyl-2,2-difluoro-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]acetamide (CID 134842682) is N,N-diethyl-2,2-difluoro-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2,2-difluoro-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]acetamide?
The canonical SMILES for N,N-diethyl-2,2-difluoro-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]acetamide is CCN(CC)C(=O)C(F)(F)C1=COC(COCc2ccccc2)CC1.
What is the InChIKey of N,N-diethyl-2,2-difluoro-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]acetamide?
The InChIKey is BPHFGSZPDMFDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2NO3/c1-3-22(4-2)18(23)19(20,21)16-10-11-17(25-13-16)14-24-12-15-8-6-5-7-9-15/h5-9,13,17H,3-4,10-12,14H2,1-2H3.
What are the key properties of N,N-diethyl-2,2-difluoro-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]acetamide?
N,N-diethyl-2,2-difluoro-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]acetamide has a molecular weight of 353.41 g/mol, XLogP of 3.77, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,2-difluoro-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]acetamide is sourced from PubChem (CID 134842682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).