N-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(methylaminomethyl)butanamide

C14H21FN2O2 — CID 115188798

IUPACN-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(methylaminomethyl)butanamide
SMILESCCC(CNC)C(=O)N(C)c1cc(F)ccc1OC
InChIInChI=1S/C14H21FN2O2/c1-5-10(9-16-2)14(18)17(3)12-8-11(15)6-7-13(12)19-4/h6-8,10,16H,5,9H2,1-4H3
InChIKeyCMDSALAAABPFEH-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.04
Rot. Bonds6

About N-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(methylaminomethyl)butanamide

N-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(methylaminomethyl)butanamide (PubChem CID 115188798) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is N-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(methylaminomethyl)butanamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(methylaminomethyl)butanamide
PubChem CID115188798
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC NameN-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(methylaminomethyl)butanamide
SMILESCCC(CNC)C(=O)N(C)c1cc(F)ccc1OC
InChIInChI=1S/C14H21FN2O2/c1-5-10(9-16-2)14(18)17(3)12-8-11(15)6-7-13(12)19-4/h6-8,10,16H,5,9H2,1-4H3
InChIKeyCMDSALAAABPFEH-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Acetamide, N-(2-methoxyphenyl)-
CID 7135
Acetoacet-o-anisidide
CID 7078
2'-(Trifluoromethoxy)acetanilide
CID 600772
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexanecarboxamide
CID 9819571
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-2,2-dimethyl-propionamide
CID 9863108
tert-butyl N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]carbamate
CID 57420188
Acetamide, 2-oxo-2-(1-pyrrolidinyl)-N-(2-methoxyphenyl)-
CID 550974
N,N'-bis(2-methoxyphenyl)hexanediamide
CID 2165672
N-(2-Methoxyphenyl)-2-morpholinoacetamide
CID 684240
N~1~,N~3~-Bis(2-methoxyphenyl)propanediamide
CID 685575
N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 31092
2-(Dimethylamino)ethyl N-(2-methoxyphenyl)carbamate
CID 50033

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(methylaminomethyl)butanamide?
The IUPAC name of N-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(methylaminomethyl)butanamide (CID 115188798) is N-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(methylaminomethyl)butanamide.
What is the SMILES notation for N-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(methylaminomethyl)butanamide?
The canonical SMILES for N-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(methylaminomethyl)butanamide is CCC(CNC)C(=O)N(C)c1cc(F)ccc1OC.
What is the InChIKey of N-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(methylaminomethyl)butanamide?
The InChIKey is CMDSALAAABPFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-5-10(9-16-2)14(18)17(3)12-8-11(15)6-7-13(12)19-4/h6-8,10,16H,5,9H2,1-4H3.
What are the key properties of N-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(methylaminomethyl)butanamide?
N-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(methylaminomethyl)butanamide has a molecular weight of 268.33 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(methylaminomethyl)butanamide is sourced from PubChem (CID 115188798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).