2-amino-N,2-diethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide

C16H25FN2O2 — CID 79814219

IUPAC2-amino-N,2-diethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide
SMILESCCN(Cc1ccc(OC)c(F)c1)C(=O)C(N)(CC)CC
InChIInChI=1S/C16H25FN2O2/c1-5-16(18,6-2)15(20)19(7-3)11-12-8-9-14(21-4)13(17)10-12/h8-10H,5-7,11,18H2,1-4H3
InChIKeyKHGOBYYVEBYSOW-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.70
Rot. Bonds7

About 2-amino-N,2-diethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide

2-amino-N,2-diethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide (PubChem CID 79814219) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-amino-N,2-diethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-amino-N,2-diethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide
PubChem CID79814219
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name2-amino-N,2-diethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide
SMILESCCN(Cc1ccc(OC)c(F)c1)C(=O)C(N)(CC)CC
InChIInChI=1S/C16H25FN2O2/c1-5-16(18,6-2)15(20)19(7-3)11-12-8-9-14(21-4)13(17)10-12/h8-10H,5-7,11,18H2,1-4H3
InChIKeyKHGOBYYVEBYSOW-UHFFFAOYSA-N
XLogP2.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methyl-2-(methylamino)propanamide
CID 62847075
2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 60712583
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(methylamino)propanamide
CID 55096948
2-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide
CID 79814208
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]furan-2-carboxamide
CID 60652216
5-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpentanamide
CID 82013913
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 9462623
4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 18115738
2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 18115704
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78858686
(2R)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propanamide
CID 8912011
ethyl 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetate
CID 60696173

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,2-diethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide?
The IUPAC name of 2-amino-N,2-diethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide (CID 79814219) is 2-amino-N,2-diethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide.
What is the SMILES notation for 2-amino-N,2-diethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide?
The canonical SMILES for 2-amino-N,2-diethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide is CCN(Cc1ccc(OC)c(F)c1)C(=O)C(N)(CC)CC.
What is the InChIKey of 2-amino-N,2-diethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide?
The InChIKey is KHGOBYYVEBYSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-5-16(18,6-2)15(20)19(7-3)11-12-8-9-14(21-4)13(17)10-12/h8-10H,5-7,11,18H2,1-4H3.
What are the key properties of 2-amino-N,2-diethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide?
2-amino-N,2-diethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide has a molecular weight of 296.39 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,2-diethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide is sourced from PubChem (CID 79814219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).