N-(3-aminopropyl)-N-(4-fluorophenyl)-3-methoxy-3-methylbutanamide

C15H23FN2O2 — CID 103017246

IUPACN-(3-aminopropyl)-N-(4-fluorophenyl)-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)N(CCCN)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2O2/c1-15(2,20-3)11-14(19)18(10-4-9-17)13-7-5-12(16)6-8-13/h5-8H,4,9-11,17H2,1-3H3
InChIKeyXEXWGTXLQUPYIN-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.32
Rot. Bonds7

About N-(3-aminopropyl)-N-(4-fluorophenyl)-3-methoxy-3-methylbutanamide

N-(3-aminopropyl)-N-(4-fluorophenyl)-3-methoxy-3-methylbutanamide (PubChem CID 103017246) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(4-fluorophenyl)-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(4-fluorophenyl)-3-methoxy-3-methylbutanamide
PubChem CID103017246
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC NameN-(3-aminopropyl)-N-(4-fluorophenyl)-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)N(CCCN)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2O2/c1-15(2,20-3)11-14(19)18(10-4-9-17)13-7-5-12(16)6-8-13/h5-8H,4,9-11,17H2,1-3H3
InChIKeyXEXWGTXLQUPYIN-UHFFFAOYSA-N
XLogP2.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-(4-fluorophenyl)acetamide
CID 28767388
N-(3-aminopropyl)-N-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103205332
1-(3-aminopropyl)-1-(4-fluorophenyl)urea
CID 43136215
1-(3-aminopropyl)-3,3-diethyl-1-(4-fluorophenyl)urea
CID 79154007
N-ethyl-N-(4-fluorophenyl)-3,3-dimethylbutanamide
CID 78806080
N-(2-aminoethyl)-N-(4-fluorophenyl)acetamide
CID 28769229
N-[4-(aminomethyl)phenyl]-3-methoxy-N,3-dimethylbutanamide
CID 103017349
N-(3-aminopropyl)-N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102801026
1-(3-aminopropyl)-3-ethyl-1-(4-methoxyphenyl)-3-methylurea
CID 79160191
N-(3-aminopropyl)-N-(4-fluorophenyl)-2-methyloxolane-3-carboxamide
CID 79750448
N-(2-aminoethyl)-N-(4-fluorophenyl)-4-methylbenzamide
CID 28769273
3-(4-fluoro-N-(2-methoxyacetyl)anilino)propanoic acid
CID 82321758

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(4-fluorophenyl)-3-methoxy-3-methylbutanamide?
The IUPAC name of N-(3-aminopropyl)-N-(4-fluorophenyl)-3-methoxy-3-methylbutanamide (CID 103017246) is N-(3-aminopropyl)-N-(4-fluorophenyl)-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(4-fluorophenyl)-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-(3-aminopropyl)-N-(4-fluorophenyl)-3-methoxy-3-methylbutanamide is COC(C)(C)CC(=O)N(CCCN)c1ccc(F)cc1.
What is the InChIKey of N-(3-aminopropyl)-N-(4-fluorophenyl)-3-methoxy-3-methylbutanamide?
The InChIKey is XEXWGTXLQUPYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-15(2,20-3)11-14(19)18(10-4-9-17)13-7-5-12(16)6-8-13/h5-8H,4,9-11,17H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-N-(4-fluorophenyl)-3-methoxy-3-methylbutanamide?
N-(3-aminopropyl)-N-(4-fluorophenyl)-3-methoxy-3-methylbutanamide has a molecular weight of 282.36 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(4-fluorophenyl)-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 103017246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).