2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanamide

C14H21FN2O2 — CID 54889835

IUPAC2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanamide
SMILESCOc1ccc(C(C)(NCC(C)C)C(N)=O)cc1F
InChIInChI=1S/C14H21FN2O2/c1-9(2)8-17-14(3,13(16)18)10-5-6-12(19-4)11(15)7-10/h5-7,9,17H,8H2,1-4H3,(H2,16,18)
InChIKeyRDSBKUIMAUIZIJ-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.78
Rot. Bonds6

About 2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanamide

2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanamide (PubChem CID 54889835) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanamide
PubChem CID54889835
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanamide
SMILESCOc1ccc(C(C)(NCC(C)C)C(N)=O)cc1F
InChIInChI=1S/C14H21FN2O2/c1-9(2)8-17-14(3,13(16)18)10-5-6-12(19-4)11(15)7-10/h5-7,9,17H,8H2,1-4H3,(H2,16,18)
InChIKeyRDSBKUIMAUIZIJ-UHFFFAOYSA-N
XLogP1.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanoic acid
CID 61003000
2-(3-fluoro-4-methoxyphenyl)-2-(propan-2-ylamino)propanamide
CID 60788030
2-(2,5-dimethoxyphenyl)-2-(2-methylpropylamino)propanamide
CID 60992136
methyl 2-(3-fluoro-4-methoxyphenyl)-2-(propylamino)propanoate
CID 60796252
2-(ethylamino)-2-(4-hydroxy-3-methoxyphenyl)propanamide
CID 60787205
methyl 2-(3-fluoro-4-methoxyphenyl)-2-hydroxypropanoate
CID 62214650
2-(4-hydroxy-3-methoxyphenyl)-2-(propan-2-ylamino)propanamide
CID 60787348
3-(3-fluoro-4-methoxyanilino)-2-methylpropanoic acid
CID 43538671
methyl 2-(2,6-difluorophenyl)-2-(2-methylpropylamino)propanoate
CID 54895287
methyl 2-(2-methylpropylamino)-2-[3-(trifluoromethyl)phenyl]propanoate
CID 61002525
2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 43754500
ethyl 3-amino-3-(3-fluoro-4-methoxyphenyl)butanoate
CID 79849313

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanamide?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanamide (CID 54889835) is 2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanamide.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanamide?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanamide is COc1ccc(C(C)(NCC(C)C)C(N)=O)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanamide?
The InChIKey is RDSBKUIMAUIZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-9(2)8-17-14(3,13(16)18)10-5-6-12(19-4)11(15)7-10/h5-7,9,17H,8H2,1-4H3,(H2,16,18).
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanamide?
2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanamide has a molecular weight of 268.33 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanamide is sourced from PubChem (CID 54889835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).