(2S)-3-[4-[diethoxyphosphoryl(difluoro)methyl]-3-methylphenyl]-N,2-dimethylpropanamide

C17H26F2NO4P — CID 58918877

IUPAC(2S)-3-[4-[diethoxyphosphoryl(difluoro)methyl]-3-methylphenyl]-N,2-dimethylpropanamide
SMILESCCOP(=O)(OCC)C(F)(F)c1ccc(C[C@H](C)C(=O)NC)cc1C
InChIInChI=1S/C17H26F2NO4P/c1-6-23-25(22,24-7-2)17(18,19)15-9-8-14(10-12(15)3)11-13(4)16(21)20-5/h8-10,13H,6-7,11H2,1-5H3,(H,20,21)/t13-/m0/s1
InChIKeyUXFAHRPHTSONAL-ZDUSSCGKSA-N
MW377.37 g/mol
LogP4.24
Rot. Bonds9

About (2S)-3-[4-[diethoxyphosphoryl(difluoro)methyl]-3-methylphenyl]-N,2-dimethylpropanamide

(2S)-3-[4-[diethoxyphosphoryl(difluoro)methyl]-3-methylphenyl]-N,2-dimethylpropanamide (PubChem CID 58918877) has the molecular formula C17H26F2NO4P and a molecular weight of 377.37 g/mol. Its IUPAC name is (2S)-3-[4-[diethoxyphosphoryl(difluoro)methyl]-3-methylphenyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-3-[4-[diethoxyphosphoryl(difluoro)methyl]-3-methylphenyl]-N,2-dimethylpropanamide
PubChem CID58918877
Molecular FormulaC17H26F2NO4P
Molecular Weight377.37 g/mol
Exact Mass377.16
IUPAC Name(2S)-3-[4-[diethoxyphosphoryl(difluoro)methyl]-3-methylphenyl]-N,2-dimethylpropanamide
SMILESCCOP(=O)(OCC)C(F)(F)c1ccc(C[C@H](C)C(=O)NC)cc1C
InChIInChI=1S/C17H26F2NO4P/c1-6-23-25(22,24-7-2)17(18,19)15-9-8-14(10-12(15)3)11-13(4)16(21)20-5/h8-10,13H,6-7,11H2,1-5H3,(H,20,21)/t13-/m0/s1
InChIKeyUXFAHRPHTSONAL-ZDUSSCGKSA-N
XLogP4.24
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-[3-bromo-4-[diethoxyphosphoryl(difluoro)methyl]phenyl]-N-methylpropanamide
CID 58918852
3-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide
CID 123596150
(2R)-3-(3,4-difluorophenyl)-N-methyl-2-(methylamino)propanamide
CID 10561294
ethyl 3-(3-fluoro-4-methylphenyl)-2-methylpropanoate
CID 70640795
ethyl 3-[3-[(2-amino-4,4,4-trifluoro-3-methylbutanoyl)amino]-4-fluorophenyl]-2-methylpropanoate
CID 123977685
3-[3-[[2,6-dimethyl-4-(2-phenylethoxy)benzoyl]amino]-4-(trifluoromethyl)phenyl]-2-methylpropanoic acid
CID 155451518
N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(3-fluorophenyl)-2-methylpropanamide
CID 48863912
(2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid
CID 94240670
3-(4-ethyl-3-methylphenyl)-2-methylpropanoic acid
CID 117295148
(2R)-N-ethyl-3-(4-fluorophenyl)-2-methylpropanamide
CID 143947459
ethyl 2-methyl-3-[4-(2-methylphenyl)-1-oxo-2H-isoquinolin-7-yl]propanoate
CID 167498394
bis(2-amino-N-methyl-3-phenylpropanamide);N,2-dimethyl-3-phenylpropanamide;methanamine;2-methyl-3-phenylpropanoic acid
CID 159251306

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[4-[diethoxyphosphoryl(difluoro)methyl]-3-methylphenyl]-N,2-dimethylpropanamide?
The IUPAC name of (2S)-3-[4-[diethoxyphosphoryl(difluoro)methyl]-3-methylphenyl]-N,2-dimethylpropanamide (CID 58918877) is (2S)-3-[4-[diethoxyphosphoryl(difluoro)methyl]-3-methylphenyl]-N,2-dimethylpropanamide.
What is the SMILES notation for (2S)-3-[4-[diethoxyphosphoryl(difluoro)methyl]-3-methylphenyl]-N,2-dimethylpropanamide?
The canonical SMILES for (2S)-3-[4-[diethoxyphosphoryl(difluoro)methyl]-3-methylphenyl]-N,2-dimethylpropanamide is CCOP(=O)(OCC)C(F)(F)c1ccc(C[C@H](C)C(=O)NC)cc1C.
What is the InChIKey of (2S)-3-[4-[diethoxyphosphoryl(difluoro)methyl]-3-methylphenyl]-N,2-dimethylpropanamide?
The InChIKey is UXFAHRPHTSONAL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26F2NO4P/c1-6-23-25(22,24-7-2)17(18,19)15-9-8-14(10-12(15)3)11-13(4)16(21)20-5/h8-10,13H,6-7,11H2,1-5H3,(H,20,21)/t13-/m0/s1.
What are the key properties of (2S)-3-[4-[diethoxyphosphoryl(difluoro)methyl]-3-methylphenyl]-N,2-dimethylpropanamide?
(2S)-3-[4-[diethoxyphosphoryl(difluoro)methyl]-3-methylphenyl]-N,2-dimethylpropanamide has a molecular weight of 377.37 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[4-[diethoxyphosphoryl(difluoro)methyl]-3-methylphenyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 58918877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).