3-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylbutanamide

C14H21FN2O2 — CID 120502200

IUPAC3-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylbutanamide
SMILESCOC(CNC(=O)C(C)C(C)N)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O2/c1-9(10(2)16)14(18)17-8-13(19-3)11-4-6-12(15)7-5-11/h4-7,9-10,13H,8,16H2,1-3H3,(H,17,18)
InChIKeyIWMBSYPJQYKLDW-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.61
Rot. Bonds6

About 3-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylbutanamide

3-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylbutanamide (PubChem CID 120502200) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 3-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylbutanamide
PubChem CID120502200
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name3-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylbutanamide
SMILESCOC(CNC(=O)C(C)C(C)N)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O2/c1-9(10(2)16)14(18)17-8-13(19-3)11-4-6-12(15)7-5-11/h4-7,9-10,13H,8,16H2,1-3H3,(H,17,18)
InChIKeyIWMBSYPJQYKLDW-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methylpentanamide
CID 119817621
2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methoxypropanamide;hydrochloride
CID 120991420
4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]pentanamide;hydrochloride
CID 120563946
4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]butanamide
CID 119343022
1-[2-(4-fluorophenyl)-2-methoxyethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111509469
3-[[2-(4-fluorophenyl)-2-methoxyethyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122004565
1-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119343019
(2S)-2-amino-N-(2-methoxy-2-phenylethyl)-4-methylpentanamide;hydrochloride
CID 119703944
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-methylpropanamide
CID 90622872
3-(4-fluorophenyl)-3-methoxypropanamide
CID 69418867
2-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]-3-methoxypropanamide
CID 120990898
N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-2-methylfuran-3-carboxamide
CID 124504826

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylbutanamide?
The IUPAC name of 3-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylbutanamide (CID 120502200) is 3-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylbutanamide?
The canonical SMILES for 3-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylbutanamide is COC(CNC(=O)C(C)C(C)N)c1ccc(F)cc1.
What is the InChIKey of 3-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylbutanamide?
The InChIKey is IWMBSYPJQYKLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-9(10(2)16)14(18)17-8-13(19-3)11-4-6-12(15)7-5-11/h4-7,9-10,13H,8,16H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylbutanamide?
3-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylbutanamide has a molecular weight of 268.33 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylbutanamide is sourced from PubChem (CID 120502200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).