N-[[4-(2,2-difluoroethoxy)-2-methylphenyl]methyl]-2-methyl-2-(2-methylpropanoylamino)propanamide

C18H26F2N2O3 — CID 175017757

IUPACN-[[4-(2,2-difluoroethoxy)-2-methylphenyl]methyl]-2-methyl-2-(2-methylpropanoylamino)propanamide
SMILESCc1cc(OCC(F)F)ccc1CNC(=O)C(C)(C)NC(=O)C(C)C
InChIInChI=1S/C18H26F2N2O3/c1-11(2)16(23)22-18(4,5)17(24)21-9-13-6-7-14(8-12(13)3)25-10-15(19)20/h6-8,11,15H,9-10H2,1-5H3,(H,21,24)(H,22,23)
InChIKeyNEOFYHGCPACSIC-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.81
Rot. Bonds8

About N-[[4-(2,2-difluoroethoxy)-2-methylphenyl]methyl]-2-methyl-2-(2-methylpropanoylamino)propanamide

N-[[4-(2,2-difluoroethoxy)-2-methylphenyl]methyl]-2-methyl-2-(2-methylpropanoylamino)propanamide (PubChem CID 175017757) has the molecular formula C18H26F2N2O3 and a molecular weight of 356.41 g/mol. Its IUPAC name is N-[[4-(2,2-difluoroethoxy)-2-methylphenyl]methyl]-2-methyl-2-(2-methylpropanoylamino)propanamide.

Molecular Properties

Compound NameN-[[4-(2,2-difluoroethoxy)-2-methylphenyl]methyl]-2-methyl-2-(2-methylpropanoylamino)propanamide
PubChem CID175017757
Molecular FormulaC18H26F2N2O3
Molecular Weight356.41 g/mol
Exact Mass356.19
IUPAC NameN-[[4-(2,2-difluoroethoxy)-2-methylphenyl]methyl]-2-methyl-2-(2-methylpropanoylamino)propanamide
SMILESCc1cc(OCC(F)F)ccc1CNC(=O)C(C)(C)NC(=O)C(C)C
InChIInChI=1S/C18H26F2N2O3/c1-11(2)16(23)22-18(4,5)17(24)21-9-13-6-7-14(8-12(13)3)25-10-15(19)20/h6-8,11,15H,9-10H2,1-5H3,(H,21,24)(H,22,23)
InChIKeyNEOFYHGCPACSIC-UHFFFAOYSA-N
XLogP2.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(chloromethyl)-4-(2,2-difluoroethoxy)-2-methylbenzene
CID 87426607
N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-2,2-dimethylpropanamide
CID 100760780
(2S)-3-methoxy-2-methyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide
CID 99829185
N-[[6-(2,2-difluoroethoxy)-4-methyl-3-pyridinyl]methyl]-2-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide
CID 142764975
(2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3,3-dimethylbutanamide
CID 119769412
2-amino-N-[(4-tert-butyl-2-methylphenyl)methyl]propanamide
CID 115152398
N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2-(2,4-dimethylphenyl)acetamide
CID 133262161
tert-butyl N-[1-[(2,4-dimethoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 130363598
methyl 2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]-2-methylpropanoate
CID 70239669
2,2,2-trifluoro-N-[(2,4,5-trimethylphenyl)methyl]acetamide
CID 115190257
1-[3-(trifluoromethyl)phenoxy]butan-2-yl N-[(2-methylphenyl)methyl]carbamate
CID 54269777
1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone
CID 20716286

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,2-difluoroethoxy)-2-methylphenyl]methyl]-2-methyl-2-(2-methylpropanoylamino)propanamide?
The IUPAC name of N-[[4-(2,2-difluoroethoxy)-2-methylphenyl]methyl]-2-methyl-2-(2-methylpropanoylamino)propanamide (CID 175017757) is N-[[4-(2,2-difluoroethoxy)-2-methylphenyl]methyl]-2-methyl-2-(2-methylpropanoylamino)propanamide.
What is the SMILES notation for N-[[4-(2,2-difluoroethoxy)-2-methylphenyl]methyl]-2-methyl-2-(2-methylpropanoylamino)propanamide?
The canonical SMILES for N-[[4-(2,2-difluoroethoxy)-2-methylphenyl]methyl]-2-methyl-2-(2-methylpropanoylamino)propanamide is Cc1cc(OCC(F)F)ccc1CNC(=O)C(C)(C)NC(=O)C(C)C.
What is the InChIKey of N-[[4-(2,2-difluoroethoxy)-2-methylphenyl]methyl]-2-methyl-2-(2-methylpropanoylamino)propanamide?
The InChIKey is NEOFYHGCPACSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O3/c1-11(2)16(23)22-18(4,5)17(24)21-9-13-6-7-14(8-12(13)3)25-10-15(19)20/h6-8,11,15H,9-10H2,1-5H3,(H,21,24)(H,22,23).
What are the key properties of N-[[4-(2,2-difluoroethoxy)-2-methylphenyl]methyl]-2-methyl-2-(2-methylpropanoylamino)propanamide?
N-[[4-(2,2-difluoroethoxy)-2-methylphenyl]methyl]-2-methyl-2-(2-methylpropanoylamino)propanamide has a molecular weight of 356.41 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,2-difluoroethoxy)-2-methylphenyl]methyl]-2-methyl-2-(2-methylpropanoylamino)propanamide is sourced from PubChem (CID 175017757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).