4-amino-N-(4-ethoxy-3-fluorophenyl)-N,2-dimethylbutanamide

C14H21FN2O2 — CID 115155974

IUPAC4-amino-N-(4-ethoxy-3-fluorophenyl)-N,2-dimethylbutanamide
SMILESCCOc1ccc(N(C)C(=O)C(C)CCN)cc1F
InChIInChI=1S/C14H21FN2O2/c1-4-19-13-6-5-11(9-12(13)15)17(3)14(18)10(2)7-8-16/h5-6,9-10H,4,7-8,16H2,1-3H3
InChIKeyAJVIYKYFFLAELX-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.17
Rot. Bonds6

About 4-amino-N-(4-ethoxy-3-fluorophenyl)-N,2-dimethylbutanamide

4-amino-N-(4-ethoxy-3-fluorophenyl)-N,2-dimethylbutanamide (PubChem CID 115155974) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 4-amino-N-(4-ethoxy-3-fluorophenyl)-N,2-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-N-(4-ethoxy-3-fluorophenyl)-N,2-dimethylbutanamide
PubChem CID115155974
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name4-amino-N-(4-ethoxy-3-fluorophenyl)-N,2-dimethylbutanamide
SMILESCCOc1ccc(N(C)C(=O)C(C)CCN)cc1F
InChIInChI=1S/C14H21FN2O2/c1-4-19-13-6-5-11(9-12(13)15)17(3)14(18)10(2)7-8-16/h5-6,9-10H,4,7-8,16H2,1-3H3
InChIKeyAJVIYKYFFLAELX-UHFFFAOYSA-N
XLogP2.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(4-fluorophenyl)-N,2-dimethylbutanamide
CID 80543840
2-chloro-N-(4-ethoxy-3-fluorophenyl)-N-methylacetamide
CID 115161900
3-chloro-N-(4-ethoxy-3-fluorophenyl)-N-methylpropanamide
CID 115162416
2-amino-2-(4-ethoxy-3-fluorophenyl)-N,N-dimethylacetamide
CID 116850116
4-amino-N-(1,3-benzoxazol-6-yl)-N,2-dimethylbutanamide
CID 115155993
N'-(4-ethoxy-3-fluorophenyl)-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251344
5-amino-N-(3-fluorophenyl)-N,2-dimethylpentanamide
CID 113440979
4-(4-ethoxy-3-fluoro-N-methylanilino)cyclohexan-1-ol
CID 115149430
4-(4-ethoxy-3-fluoro-N-methylanilino)butanoic acid
CID 115218534
4-(4-ethoxy-3-fluorophenyl)-3-methylbutan-1-amine
CID 116924857
2-amino-1-(4-ethoxy-3-fluorophenyl)propan-1-one
CID 82284127
4-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylbutanamide
CID 115155987

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-ethoxy-3-fluorophenyl)-N,2-dimethylbutanamide?
The IUPAC name of 4-amino-N-(4-ethoxy-3-fluorophenyl)-N,2-dimethylbutanamide (CID 115155974) is 4-amino-N-(4-ethoxy-3-fluorophenyl)-N,2-dimethylbutanamide.
What is the SMILES notation for 4-amino-N-(4-ethoxy-3-fluorophenyl)-N,2-dimethylbutanamide?
The canonical SMILES for 4-amino-N-(4-ethoxy-3-fluorophenyl)-N,2-dimethylbutanamide is CCOc1ccc(N(C)C(=O)C(C)CCN)cc1F.
What is the InChIKey of 4-amino-N-(4-ethoxy-3-fluorophenyl)-N,2-dimethylbutanamide?
The InChIKey is AJVIYKYFFLAELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-4-19-13-6-5-11(9-12(13)15)17(3)14(18)10(2)7-8-16/h5-6,9-10H,4,7-8,16H2,1-3H3.
What are the key properties of 4-amino-N-(4-ethoxy-3-fluorophenyl)-N,2-dimethylbutanamide?
4-amino-N-(4-ethoxy-3-fluorophenyl)-N,2-dimethylbutanamide has a molecular weight of 268.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-ethoxy-3-fluorophenyl)-N,2-dimethylbutanamide is sourced from PubChem (CID 115155974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).