3-(ethylamino)-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide

C13H19FN2O2 — CID 114839717

IUPAC3-(ethylamino)-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide
SMILESCCNCC(C)C(=O)Nc1ccc(F)c(OC)c1
InChIInChI=1S/C13H19FN2O2/c1-4-15-8-9(2)13(17)16-10-5-6-11(14)12(7-10)18-3/h5-7,9,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyLTNIWWBXSKXQPJ-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.02
Rot. Bonds6

About 3-(ethylamino)-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide

3-(ethylamino)-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide (PubChem CID 114839717) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-(ethylamino)-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide
PubChem CID114839717
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name3-(ethylamino)-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide
SMILESCCNCC(C)C(=O)Nc1ccc(F)c(OC)c1
InChIInChI=1S/C13H19FN2O2/c1-4-15-8-9(2)13(17)16-10-5-6-11(14)12(7-10)18-3/h5-7,9,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyLTNIWWBXSKXQPJ-UHFFFAOYSA-N
XLogP2.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)-N-(3-fluoro-4-methoxyphenyl)-2-methylpropanamide
CID 55122876
N-(3,4-dimethoxyphenyl)-3-(ethylamino)-2-methylpropanamide
CID 55123166
2-(ethylamino)-N-(4-fluoro-3-methoxyphenyl)acetamide
CID 114839640
3-(4-fluoro-3-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 114899105
N-(3,4-diethoxyphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62853227
N-(3,4-dimethylphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62852690
N-(3-fluoro-4-methoxyphenyl)-2-methyl-3-(methylamino)propanamide
CID 79196660
ethyl N-(4-fluoro-3-methoxyphenyl)carbamate
CID 114840894
2-carbamothioyl-N-(4-fluoro-3-methoxyphenyl)pentanamide
CID 114839881
4-(3-fluoro-4-methoxyanilino)-3-methyl-4-oxobutanoic acid
CID 115164433
4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbutanamide
CID 80542482
2-(4-fluoro-3-methoxyanilino)-N-methylpropanamide
CID 114839350

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide?
The IUPAC name of 3-(ethylamino)-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide (CID 114839717) is 3-(ethylamino)-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for 3-(ethylamino)-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide?
The canonical SMILES for 3-(ethylamino)-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide is CCNCC(C)C(=O)Nc1ccc(F)c(OC)c1.
What is the InChIKey of 3-(ethylamino)-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide?
The InChIKey is LTNIWWBXSKXQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-4-15-8-9(2)13(17)16-10-5-6-11(14)12(7-10)18-3/h5-7,9,15H,4,8H2,1-3H3,(H,16,17).
What are the key properties of 3-(ethylamino)-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide?
3-(ethylamino)-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide has a molecular weight of 254.30 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 114839717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).