(2S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyloxolane-2-carboxamide

C15H19F2NO4 — CID 94182088

IUPAC(2S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyloxolane-2-carboxamide
SMILESCOc1cc(CN(C)C(=O)[C@@H]2CCCO2)ccc1OC(F)F
InChIInChI=1S/C15H19F2NO4/c1-18(14(19)12-4-3-7-21-12)9-10-5-6-11(22-15(16)17)13(8-10)20-2/h5-6,8,12,15H,3-4,7,9H2,1-2H3/t12-/m0/s1
InChIKeyVAOJWXXUQPCBPP-LBPRGKRZSA-N
MW315.32 g/mol
LogP2.43
Rot. Bonds6

About (2S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyloxolane-2-carboxamide

(2S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyloxolane-2-carboxamide (PubChem CID 94182088) has the molecular formula C15H19F2NO4 and a molecular weight of 315.32 g/mol. Its IUPAC name is (2S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyloxolane-2-carboxamide
PubChem CID94182088
Molecular FormulaC15H19F2NO4
Molecular Weight315.32 g/mol
Exact Mass315.13
IUPAC Name(2S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyloxolane-2-carboxamide
SMILESCOc1cc(CN(C)C(=O)[C@@H]2CCCO2)ccc1OC(F)F
InChIInChI=1S/C15H19F2NO4/c1-18(14(19)12-4-3-7-21-12)9-10-5-6-11(22-15(16)17)13(8-10)20-2/h5-6,8,12,15H,3-4,7,9H2,1-2H3/t12-/m0/s1
InChIKeyVAOJWXXUQPCBPP-LBPRGKRZSA-N
XLogP2.43
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyloxolane-2-carboxamide
CID 78808324
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119285874
(2S,4S)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120621587
1-benzoyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 112819653
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27780979
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-hydroxy-N-methylbenzamide
CID 31153420
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoic acid
CID 60648152
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide
CID 55834171
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55625221
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-7-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18135621
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 55409823
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxy-4-methylbenzamide
CID 18169209

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyloxolane-2-carboxamide?
The IUPAC name of (2S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyloxolane-2-carboxamide (CID 94182088) is (2S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyloxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyloxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyloxolane-2-carboxamide is COc1cc(CN(C)C(=O)[C@@H]2CCCO2)ccc1OC(F)F.
What is the InChIKey of (2S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyloxolane-2-carboxamide?
The InChIKey is VAOJWXXUQPCBPP-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19F2NO4/c1-18(14(19)12-4-3-7-21-12)9-10-5-6-11(22-15(16)17)13(8-10)20-2/h5-6,8,12,15H,3-4,7,9H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyloxolane-2-carboxamide?
(2S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyloxolane-2-carboxamide has a molecular weight of 315.32 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyloxolane-2-carboxamide is sourced from PubChem (CID 94182088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).