2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide

C12H17FN2O2 — CID 60712583

IUPAC2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
SMILESCCN(Cc1ccc(OC)c(F)c1)C(=O)CN
InChIInChI=1S/C12H17FN2O2/c1-3-15(12(16)7-14)8-9-4-5-11(17-2)10(13)6-9/h4-6H,3,7-8,14H2,1-2H3
InChIKeyNBSXPYPYQYNJMN-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.14
Rot. Bonds5

About 2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide

2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide (PubChem CID 60712583) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
PubChem CID60712583
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
SMILESCCN(Cc1ccc(OC)c(F)c1)C(=O)CN
InChIInChI=1S/C12H17FN2O2/c1-3-15(12(16)7-14)8-9-4-5-11(17-2)10(13)6-9/h4-6H,3,7-8,14H2,1-2H3
InChIKeyNBSXPYPYQYNJMN-UHFFFAOYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpentanamide
CID 82013913
2-amino-N-butan-2-yl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 112517436
2-amino-N,2-diethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide
CID 79814219
2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 18115704
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(methylamino)propanamide
CID 55096948
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methyl-2-(methylamino)propanamide
CID 62847075
2-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methylbenzamide
CID 24600784
ethyl 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetate
CID 60696173
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]furan-2-carboxamide
CID 60652216
ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]azanium
CID 8682973
(E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]prop-2-enamide
CID 35605636
4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 18115738

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide (CID 60712583) is 2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide is CCN(Cc1ccc(OC)c(F)c1)C(=O)CN.
What is the InChIKey of 2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide?
The InChIKey is NBSXPYPYQYNJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-3-15(12(16)7-14)8-9-4-5-11(17-2)10(13)6-9/h4-6H,3,7-8,14H2,1-2H3.
What are the key properties of 2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide?
2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide has a molecular weight of 240.28 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 60712583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).