N-(4-ethoxy-3-fluorophenyl)-3,3-dimethylbutanamide

C14H20FNO2 — CID 110777393

IUPACN-(4-ethoxy-3-fluorophenyl)-3,3-dimethylbutanamide
SMILESCCOc1ccc(NC(=O)CC(C)(C)C)cc1F
InChIInChI=1S/C14H20FNO2/c1-5-18-12-7-6-10(8-11(12)15)16-13(17)9-14(2,3)4/h6-8H,5,9H2,1-4H3,(H,16,17)
InChIKeyHCJCDSXQERRKIY-UHFFFAOYSA-N
MW253.32 g/mol
LogP3.60
Rot. Bonds4

About N-(4-ethoxy-3-fluorophenyl)-3,3-dimethylbutanamide

N-(4-ethoxy-3-fluorophenyl)-3,3-dimethylbutanamide (PubChem CID 110777393) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is N-(4-ethoxy-3-fluorophenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-fluorophenyl)-3,3-dimethylbutanamide
PubChem CID110777393
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC NameN-(4-ethoxy-3-fluorophenyl)-3,3-dimethylbutanamide
SMILESCCOc1ccc(NC(=O)CC(C)(C)C)cc1F
InChIInChI=1S/C14H20FNO2/c1-5-18-12-7-6-10(8-11(12)15)16-13(17)9-14(2,3)4/h6-8H,5,9H2,1-4H3,(H,16,17)
InChIKeyHCJCDSXQERRKIY-UHFFFAOYSA-N
XLogP3.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 54903166
3-amino-N-(4-ethoxy-3-fluorophenyl)propanamide
CID 96672740
N-[3-(chloromethyl)-4-ethoxyphenyl]-3,3-dimethylbutanamide
CID 114302982
N-(3,4-difluorophenyl)-3,3-dimethylbutanamide
CID 842282
methyl N-(4-ethoxy-3-fluorophenyl)carbamate
CID 110777389
N-(4-ethoxy-3-fluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 110777396
2-(4-aminophenyl)-N-(4-ethoxy-3-fluorophenyl)acetamide
CID 115738458
N-(4-ethoxy-3-fluorophenyl)-3-methylsulfonylpropanamide
CID 87030944
N-(4-ethoxy-3-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 115733830
2-bromo-N-(4-ethoxy-3-fluorophenyl)propanamide
CID 107905692
1-(4-ethoxy-3-fluorophenyl)-3-propan-2-ylurea
CID 47307419
N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3,3-dimethylbutanamide
CID 90019267

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-fluorophenyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(4-ethoxy-3-fluorophenyl)-3,3-dimethylbutanamide (CID 110777393) is N-(4-ethoxy-3-fluorophenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(4-ethoxy-3-fluorophenyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(4-ethoxy-3-fluorophenyl)-3,3-dimethylbutanamide is CCOc1ccc(NC(=O)CC(C)(C)C)cc1F.
What is the InChIKey of N-(4-ethoxy-3-fluorophenyl)-3,3-dimethylbutanamide?
The InChIKey is HCJCDSXQERRKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-5-18-12-7-6-10(8-11(12)15)16-13(17)9-14(2,3)4/h6-8H,5,9H2,1-4H3,(H,16,17).
What are the key properties of N-(4-ethoxy-3-fluorophenyl)-3,3-dimethylbutanamide?
N-(4-ethoxy-3-fluorophenyl)-3,3-dimethylbutanamide has a molecular weight of 253.32 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-fluorophenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 110777393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).