N-(2-aminoethyl)-2-(4-fluorophenyl)-N-pentan-3-ylacetamide

C15H23FN2O — CID 63754035

IUPACN-(2-aminoethyl)-2-(4-fluorophenyl)-N-pentan-3-ylacetamide
SMILESCCC(CC)N(CCN)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H23FN2O/c1-3-14(4-2)18(10-9-17)15(19)11-12-5-7-13(16)8-6-12/h5-8,14H,3-4,9-11,17H2,1-2H3
InChIKeyQOTZUHYENDSXGH-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.34
Rot. Bonds7

About N-(2-aminoethyl)-2-(4-fluorophenyl)-N-pentan-3-ylacetamide

N-(2-aminoethyl)-2-(4-fluorophenyl)-N-pentan-3-ylacetamide (PubChem CID 63754035) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(4-fluorophenyl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(4-fluorophenyl)-N-pentan-3-ylacetamide
PubChem CID63754035
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-(2-aminoethyl)-2-(4-fluorophenyl)-N-pentan-3-ylacetamide
SMILESCCC(CC)N(CCN)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H23FN2O/c1-3-14(4-2)18(10-9-17)15(19)11-12-5-7-13(16)8-6-12/h5-8,14H,3-4,9-11,17H2,1-2H3
InChIKeyQOTZUHYENDSXGH-UHFFFAOYSA-N
XLogP2.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminopropan-2-yl)-2-(4-fluorophenyl)-N-methylacetamide
CID 115733563
N-(2-methoxyethyl)-2-(4-methylphenyl)-N-pentan-3-ylacetamide
CID 86982114
N-(2-aminoethyl)-3-(2-methylphenyl)-N-pentan-3-ylpropanamide
CID 63753493
2-(4-aminophenyl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride
CID 119737208
ethyl N-(2-aminoethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]carbamate
CID 124908313
N-(2-aminoethyl)-5-ethyl-N-pentan-3-ylfuran-2-carboxamide
CID 79084484
2-[[2-(4-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132656209
2-[(4-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-methylbutanamide
CID 132656685
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(4-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 100575362
2-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide
CID 81322315
2-[4-(aminomethyl)phenyl]-N-propan-2-yl-N-propylacetamide
CID 63588884
N-(1-aminobutan-2-yl)-2-(4-fluorophenyl)acetamide
CID 63753722

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(4-fluorophenyl)-N-pentan-3-ylacetamide?
The IUPAC name of N-(2-aminoethyl)-2-(4-fluorophenyl)-N-pentan-3-ylacetamide (CID 63754035) is N-(2-aminoethyl)-2-(4-fluorophenyl)-N-pentan-3-ylacetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(4-fluorophenyl)-N-pentan-3-ylacetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(4-fluorophenyl)-N-pentan-3-ylacetamide is CCC(CC)N(CCN)C(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-(2-aminoethyl)-2-(4-fluorophenyl)-N-pentan-3-ylacetamide?
The InChIKey is QOTZUHYENDSXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-14(4-2)18(10-9-17)15(19)11-12-5-7-13(16)8-6-12/h5-8,14H,3-4,9-11,17H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-2-(4-fluorophenyl)-N-pentan-3-ylacetamide?
N-(2-aminoethyl)-2-(4-fluorophenyl)-N-pentan-3-ylacetamide has a molecular weight of 266.36 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(4-fluorophenyl)-N-pentan-3-ylacetamide is sourced from PubChem (CID 63754035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).