5-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpentanamide

C16H25FN2O2 — CID 82013913

IUPAC5-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpentanamide
SMILESCCN(Cc1ccc(OC)c(F)c1)C(=O)CCC(C)CN
InChIInChI=1S/C16H25FN2O2/c1-4-19(16(20)8-5-12(2)10-18)11-13-6-7-15(21-3)14(17)9-13/h6-7,9,12H,4-5,8,10-11,18H2,1-3H3
InChIKeyVWRJVGQQUBJZTR-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.56
Rot. Bonds8

About 5-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpentanamide

5-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpentanamide (PubChem CID 82013913) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 5-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpentanamide
PubChem CID82013913
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name5-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpentanamide
SMILESCCN(Cc1ccc(OC)c(F)c1)C(=O)CCC(C)CN
InChIInChI=1S/C16H25FN2O2/c1-4-19(16(20)8-5-12(2)10-18)11-13-6-7-15(21-3)14(17)9-13/h6-7,9,12H,4-5,8,10-11,18H2,1-3H3
InChIKeyVWRJVGQQUBJZTR-UHFFFAOYSA-N
XLogP2.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 60712583
4-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 81075378
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(methylamino)propanamide
CID 55096948
N'-[(3-fluoro-4-methoxyphenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 54992107
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
(2R)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propanamide
CID 8912011
3-(cyclohexylcarbamoylamino)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide
CID 18152378
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

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpentanamide?
The IUPAC name of 5-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpentanamide (CID 82013913) is 5-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpentanamide?
The canonical SMILES for 5-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpentanamide is CCN(Cc1ccc(OC)c(F)c1)C(=O)CCC(C)CN.
What is the InChIKey of 5-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpentanamide?
The InChIKey is VWRJVGQQUBJZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-4-19(16(20)8-5-12(2)10-18)11-13-6-7-15(21-3)14(17)9-13/h6-7,9,12H,4-5,8,10-11,18H2,1-3H3.
What are the key properties of 5-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpentanamide?
5-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpentanamide has a molecular weight of 296.39 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpentanamide is sourced from PubChem (CID 82013913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).