2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylbutanamide

C13H19FN2O2 — CID 110481408

IUPAC2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylbutanamide
SMILESCC(C)C(N)C(=O)NCCOc1cccc(F)c1
InChIInChI=1S/C13H19FN2O2/c1-9(2)12(15)13(17)16-6-7-18-11-5-3-4-10(14)8-11/h3-5,8-9,12H,6-7,15H2,1-2H3,(H,16,17)
InChIKeyKZOQWLXXZJDHIM-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.30
Rot. Bonds6

About 2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylbutanamide

2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylbutanamide (PubChem CID 110481408) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylbutanamide
PubChem CID110481408
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylbutanamide
SMILESCC(C)C(N)C(=O)NCCOc1cccc(F)c1
InChIInChI=1S/C13H19FN2O2/c1-9(2)12(15)13(17)16-6-7-18-11-5-3-4-10(14)8-11/h3-5,8-9,12H,6-7,15H2,1-2H3,(H,16,17)
InChIKeyKZOQWLXXZJDHIM-UHFFFAOYSA-N
XLogP1.30
TPSA64.35 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 ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylpentanamide
CID 110482529
2-chloro-2-fluoro-N-[2-(3-fluorophenoxy)ethyl]acetamide
CID 166427822
methyl N-[2-(3-fluorophenoxy)ethyl]carbamate
CID 110477679
(2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide
CID 30865784
(2R)-2-amino-N-[2-[3-fluoro-5-(trifluoromethyl)phenoxy]ethyl]-3-methylbutanamide
CID 118661024
2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide
CID 43566282
1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide
CID 166196673
(2S)-2-amino-N-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide;hydrochloride
CID 120893766
2-amino-3-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]pentanamide
CID 119736730
1-[2-(dimethylamino)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970330
(2S)-N-[2-(3-fluorophenoxy)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide
CID 35093926
N-[2-(3-fluorophenoxy)ethyl]-2-phenylacetamide
CID 110483020

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylbutanamide?
The IUPAC name of 2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylbutanamide (CID 110481408) is 2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylbutanamide?
The canonical SMILES for 2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylbutanamide is CC(C)C(N)C(=O)NCCOc1cccc(F)c1.
What is the InChIKey of 2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylbutanamide?
The InChIKey is KZOQWLXXZJDHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-9(2)12(15)13(17)16-6-7-18-11-5-3-4-10(14)8-11/h3-5,8-9,12H,6-7,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylbutanamide?
2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylbutanamide has a molecular weight of 254.30 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylbutanamide is sourced from PubChem (CID 110481408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).