2-(butan-2-ylamino)-2-(2-fluoro-6-methoxyphenyl)propanamide

C14H21FN2O2 — CID 113388819

IUPAC2-(butan-2-ylamino)-2-(2-fluoro-6-methoxyphenyl)propanamide
SMILESCCC(C)NC(C)(C(N)=O)c1c(F)cccc1OC
InChIInChI=1S/C14H21FN2O2/c1-5-9(2)17-14(3,13(16)18)12-10(15)7-6-8-11(12)19-4/h6-9,17H,5H2,1-4H3,(H2,16,18)
InChIKeyHTQYJQTXWNQHDQ-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.92
Rot. Bonds6

About 2-(butan-2-ylamino)-2-(2-fluoro-6-methoxyphenyl)propanamide

2-(butan-2-ylamino)-2-(2-fluoro-6-methoxyphenyl)propanamide (PubChem CID 113388819) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-2-(2-fluoro-6-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-2-(2-fluoro-6-methoxyphenyl)propanamide
PubChem CID113388819
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-(butan-2-ylamino)-2-(2-fluoro-6-methoxyphenyl)propanamide
SMILESCCC(C)NC(C)(C(N)=O)c1c(F)cccc1OC
InChIInChI=1S/C14H21FN2O2/c1-5-9(2)17-14(3,13(16)18)12-10(15)7-6-8-11(12)19-4/h6-9,17H,5H2,1-4H3,(H2,16,18)
InChIKeyHTQYJQTXWNQHDQ-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butan-2-ylamino)-2-(3,4-difluorophenyl)propanamide
CID 54908455
2-(butan-2-ylamino)-3-(2-fluorophenyl)-2-methylpropanamide
CID 114831966
3-(ethylamino)-2-(2-fluoro-6-methoxyphenyl)butan-2-ol
CID 113389301
methyl 2-(2-fluoro-6-methoxyphenyl)-2-(prop-2-enylamino)propanoate
CID 113388820
3-(2-fluoro-6-methoxyphenyl)-3-methylbutanoic acid
CID 117325215
2-(3-fluoro-4-methoxyphenyl)-2-(propan-2-ylamino)propanamide
CID 60788030
ethyl 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propanoate
CID 61025042
ethyl 2-(butan-2-ylamino)-2-(4-fluorophenyl)propanoate
CID 54907921
4-amino-3-(2-fluoro-6-methoxyphenyl)-3-methylpentan-1-ol
CID 113389401
2-(2-fluoroanilino)-2-(2-methoxyphenyl)propanamide
CID 60992388
4-amino-2-(2-fluoro-6-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 113389409
N-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide
CID 65434046

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-2-(2-fluoro-6-methoxyphenyl)propanamide?
The IUPAC name of 2-(butan-2-ylamino)-2-(2-fluoro-6-methoxyphenyl)propanamide (CID 113388819) is 2-(butan-2-ylamino)-2-(2-fluoro-6-methoxyphenyl)propanamide.
What is the SMILES notation for 2-(butan-2-ylamino)-2-(2-fluoro-6-methoxyphenyl)propanamide?
The canonical SMILES for 2-(butan-2-ylamino)-2-(2-fluoro-6-methoxyphenyl)propanamide is CCC(C)NC(C)(C(N)=O)c1c(F)cccc1OC.
What is the InChIKey of 2-(butan-2-ylamino)-2-(2-fluoro-6-methoxyphenyl)propanamide?
The InChIKey is HTQYJQTXWNQHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-5-9(2)17-14(3,13(16)18)12-10(15)7-6-8-11(12)19-4/h6-9,17H,5H2,1-4H3,(H2,16,18).
What are the key properties of 2-(butan-2-ylamino)-2-(2-fluoro-6-methoxyphenyl)propanamide?
2-(butan-2-ylamino)-2-(2-fluoro-6-methoxyphenyl)propanamide has a molecular weight of 268.33 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-2-(2-fluoro-6-methoxyphenyl)propanamide is sourced from PubChem (CID 113388819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).