N-ethyl-3-(ethylamino)-N-[1-(4-fluorophenyl)ethyl]-2-methylpropanamide

C16H25FN2O — CID 62853654

IUPACN-ethyl-3-(ethylamino)-N-[1-(4-fluorophenyl)ethyl]-2-methylpropanamide
SMILESCCNCC(C)C(=O)N(CC)C(C)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2O/c1-5-18-11-12(3)16(20)19(6-2)13(4)14-7-9-15(17)10-8-14/h7-10,12-13,18H,5-6,11H2,1-4H3
InChIKeyLKORTFNSYWLASJ-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.98
Rot. Bonds7

About N-ethyl-3-(ethylamino)-N-[1-(4-fluorophenyl)ethyl]-2-methylpropanamide

N-ethyl-3-(ethylamino)-N-[1-(4-fluorophenyl)ethyl]-2-methylpropanamide (PubChem CID 62853654) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is N-ethyl-3-(ethylamino)-N-[1-(4-fluorophenyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-ethyl-3-(ethylamino)-N-[1-(4-fluorophenyl)ethyl]-2-methylpropanamide
PubChem CID62853654
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN-ethyl-3-(ethylamino)-N-[1-(4-fluorophenyl)ethyl]-2-methylpropanamide
SMILESCCNCC(C)C(=O)N(CC)C(C)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2O/c1-5-18-11-12(3)16(20)19(6-2)13(4)14-7-9-15(17)10-8-14/h7-10,12-13,18H,5-6,11H2,1-4H3
InChIKeyLKORTFNSYWLASJ-UHFFFAOYSA-N
XLogP2.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 104684492
N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60794877
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-oxobutanamide
CID 54876478
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 86850077
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 79287578
3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119737212
3-(ethylamino)-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methylpropanamide
CID 62851825
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylpentanamide
CID 78892655
2-hydroxyethyl N-ethyl-N-[1-(4-fluorophenyl)ethyl]carbamate
CID 79346125
3-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 54875564
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 61029614
2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 87025690

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(ethylamino)-N-[1-(4-fluorophenyl)ethyl]-2-methylpropanamide?
The IUPAC name of N-ethyl-3-(ethylamino)-N-[1-(4-fluorophenyl)ethyl]-2-methylpropanamide (CID 62853654) is N-ethyl-3-(ethylamino)-N-[1-(4-fluorophenyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-ethyl-3-(ethylamino)-N-[1-(4-fluorophenyl)ethyl]-2-methylpropanamide?
The canonical SMILES for N-ethyl-3-(ethylamino)-N-[1-(4-fluorophenyl)ethyl]-2-methylpropanamide is CCNCC(C)C(=O)N(CC)C(C)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-3-(ethylamino)-N-[1-(4-fluorophenyl)ethyl]-2-methylpropanamide?
The InChIKey is LKORTFNSYWLASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-5-18-11-12(3)16(20)19(6-2)13(4)14-7-9-15(17)10-8-14/h7-10,12-13,18H,5-6,11H2,1-4H3.
What are the key properties of N-ethyl-3-(ethylamino)-N-[1-(4-fluorophenyl)ethyl]-2-methylpropanamide?
N-ethyl-3-(ethylamino)-N-[1-(4-fluorophenyl)ethyl]-2-methylpropanamide has a molecular weight of 280.39 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(ethylamino)-N-[1-(4-fluorophenyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 62853654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).