N-butyl-2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]acetamide

C16H25FN2O2 — CID 107717501

IUPACN-butyl-2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]acetamide
SMILESCCCCNC(=O)COc1ccc(C(C)NCC)c(F)c1
InChIInChI=1S/C16H25FN2O2/c1-4-6-9-19-16(20)11-21-13-7-8-14(15(17)10-13)12(3)18-5-2/h7-8,10,12,18H,4-6,9,11H2,1-3H3,(H,19,20)
InChIKeyKDCYIYZURGHPFI-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.79
Rot. Bonds9

About N-butyl-2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]acetamide

N-butyl-2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]acetamide (PubChem CID 107717501) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is N-butyl-2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]acetamide
PubChem CID107717501
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC NameN-butyl-2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]acetamide
SMILESCCCCNC(=O)COc1ccc(C(C)NCC)c(F)c1
InChIInChI=1S/C16H25FN2O2/c1-4-6-9-19-16(20)11-21-13-7-8-14(15(17)10-13)12(3)18-5-2/h7-8,10,12,18H,4-6,9,11H2,1-3H3,(H,19,20)
InChIKeyKDCYIYZURGHPFI-UHFFFAOYSA-N
XLogP2.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-N,N-dimethylacetamide
CID 107717208
2-(4-bromo-3-fluorophenoxy)-N-butylacetamide
CID 63998462
1-[4-(2-butoxyethoxy)-2-fluorophenyl]-N-ethylethanamine
CID 107717524
2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide
CID 107716600
1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]-N-ethylethanamine
CID 107717512
N-butyl-2-(4-propan-2-ylphenoxy)acetamide
CID 17142930
N-butyl-2-(3-ethoxyphenoxy)acetamide
CID 112977682
3-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]butan-2-ol
CID 107717129
N-butyl-2-[3-[1-(propylamino)ethyl]phenoxy]acetamide
CID 61485837
1-(4-butan-2-yloxy-2-fluorophenyl)-N-ethylethanamine
CID 107717175
5-[2-(butylamino)-2-oxoethoxy]-2-methylbenzoic acid
CID 82165953
N-[1-[4-(2-chloroprop-2-enoxy)-2-fluorophenyl]ethyl]propan-1-amine
CID 107717673

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]acetamide?
The IUPAC name of N-butyl-2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]acetamide (CID 107717501) is N-butyl-2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]acetamide.
What is the SMILES notation for N-butyl-2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]acetamide?
The canonical SMILES for N-butyl-2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]acetamide is CCCCNC(=O)COc1ccc(C(C)NCC)c(F)c1.
What is the InChIKey of N-butyl-2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]acetamide?
The InChIKey is KDCYIYZURGHPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-4-6-9-19-16(20)11-21-13-7-8-14(15(17)10-13)12(3)18-5-2/h7-8,10,12,18H,4-6,9,11H2,1-3H3,(H,19,20).
What are the key properties of N-butyl-2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]acetamide?
N-butyl-2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]acetamide has a molecular weight of 296.39 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]acetamide is sourced from PubChem (CID 107717501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).