2-amino-2-ethyl-N-[(3-fluorophenyl)methyl]-N-methylbutanamide

C14H21FN2O — CID 79810018

IUPAC2-amino-2-ethyl-N-[(3-fluorophenyl)methyl]-N-methylbutanamide
SMILESCCC(N)(CC)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-4-14(16,5-2)13(18)17(3)10-11-7-6-8-12(15)9-11/h6-9H,4-5,10,16H2,1-3H3
InChIKeyUOEPCXUTQQXYFM-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.30
Rot. Bonds5

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

2-amino-2-ethyl-N-[(3-fluorophenyl)methyl]-N-methylbutanamide (PubChem CID 79810018) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-amino-2-ethyl-N-[(3-fluorophenyl)methyl]-N-methylbutanamide.

Molecular Properties

Compound Name2-amino-2-ethyl-N-[(3-fluorophenyl)methyl]-N-methylbutanamide
PubChem CID79810018
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-amino-2-ethyl-N-[(3-fluorophenyl)methyl]-N-methylbutanamide
SMILESCCC(N)(CC)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-4-14(16,5-2)13(18)17(3)10-11-7-6-8-12(15)9-11/h6-9H,4-5,10,16H2,1-3H3
InChIKeyUOEPCXUTQQXYFM-UHFFFAOYSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[(3-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 65466557
2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 43211988
4-amino-N-[(3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 119267070
2-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide
CID 79814208
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide
CID 28942552
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
1-cyano-N-[(3-fluorophenyl)methyl]-N-methylformamide
CID 115172406
2-amino-3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 115179409
3-amino-N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylpropanamide
CID 106111202
2-amino-2-ethyl-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 79810054
N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylacetamide
CID 60636361

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-N-[(3-fluorophenyl)methyl]-N-methylbutanamide?
The IUPAC name of 2-amino-2-ethyl-N-[(3-fluorophenyl)methyl]-N-methylbutanamide (CID 79810018) is 2-amino-2-ethyl-N-[(3-fluorophenyl)methyl]-N-methylbutanamide.
What is the SMILES notation for 2-amino-2-ethyl-N-[(3-fluorophenyl)methyl]-N-methylbutanamide?
The canonical SMILES for 2-amino-2-ethyl-N-[(3-fluorophenyl)methyl]-N-methylbutanamide is CCC(N)(CC)C(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of 2-amino-2-ethyl-N-[(3-fluorophenyl)methyl]-N-methylbutanamide?
The InChIKey is UOEPCXUTQQXYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-4-14(16,5-2)13(18)17(3)10-11-7-6-8-12(15)9-11/h6-9H,4-5,10,16H2,1-3H3.
What are the key properties of 2-amino-2-ethyl-N-[(3-fluorophenyl)methyl]-N-methylbutanamide?
2-amino-2-ethyl-N-[(3-fluorophenyl)methyl]-N-methylbutanamide has a molecular weight of 252.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-N-[(3-fluorophenyl)methyl]-N-methylbutanamide is sourced from PubChem (CID 79810018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).