(2S)-2-(3-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)propanamide

C15H18F2N2O3 — CID 96999216

IUPAC(2S)-2-(3-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)propanamide
SMILESCOCCN(CC(F)F)C(=O)[C@H](C)Oc1cccc(C#N)c1
InChIInChI=1S/C15H18F2N2O3/c1-11(22-13-5-3-4-12(8-13)9-18)15(20)19(6-7-21-2)10-14(16)17/h3-5,8,11,14H,6-7,10H2,1-2H3/t11-/m0/s1
InChIKeyZDKZMCVUKVJTEB-NSHDSACASA-N
MW312.32 g/mol
LogP2.07
Rot. Bonds8

About (2S)-2-(3-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)propanamide

(2S)-2-(3-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)propanamide (PubChem CID 96999216) has the molecular formula C15H18F2N2O3 and a molecular weight of 312.32 g/mol. Its IUPAC name is (2S)-2-(3-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)propanamide
PubChem CID96999216
Molecular FormulaC15H18F2N2O3
Molecular Weight312.32 g/mol
Exact Mass312.13
IUPAC Name(2S)-2-(3-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)propanamide
SMILESCOCCN(CC(F)F)C(=O)[C@H](C)Oc1cccc(C#N)c1
InChIInChI=1S/C15H18F2N2O3/c1-11(22-13-5-3-4-12(8-13)9-18)15(20)19(6-7-21-2)10-14(16)17/h3-5,8,11,14H,6-7,10H2,1-2H3/t11-/m0/s1
InChIKeyZDKZMCVUKVJTEB-NSHDSACASA-N
XLogP2.07
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide
CID 115772456
3-[2-(3-cyanophenoxy)propanoyl-[(2,3-difluorophenyl)methyl]amino]propanoic acid
CID 119212483
2-(2-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide
CID 107483315
2-(3-cyanophenoxy)-N-methylpropanamide
CID 43085589
N-[2-(tert-butylamino)-2-oxoethyl]-2-(3-cyanophenoxy)-N-methylpropanamide
CID 86921453
(2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)propanamide
CID 119314780
3-(difluoromethoxy)benzonitrile
CID 2736988
3-(1-hydroxypropan-2-yloxy)benzonitrile
CID 126975960
(3-methoxyphenyl)methyl 2-(3-cyanophenoxy)propanoate
CID 47718097
2-(3-cyanophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 9113198
2-(4-cyanophenoxy)-N,N-diethylpropanamide
CID 43083146
3-[2-[ethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile
CID 54949431

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)propanamide?
The IUPAC name of (2S)-2-(3-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)propanamide (CID 96999216) is (2S)-2-(3-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for (2S)-2-(3-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for (2S)-2-(3-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)propanamide is COCCN(CC(F)F)C(=O)[C@H](C)Oc1cccc(C#N)c1.
What is the InChIKey of (2S)-2-(3-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)propanamide?
The InChIKey is ZDKZMCVUKVJTEB-NSHDSACASA-N. The full InChI is InChI=1S/C15H18F2N2O3/c1-11(22-13-5-3-4-12(8-13)9-18)15(20)19(6-7-21-2)10-14(16)17/h3-5,8,11,14H,6-7,10H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-2-(3-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)propanamide?
(2S)-2-(3-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)propanamide has a molecular weight of 312.32 g/mol, XLogP of 2.07, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 96999216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).