2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide

C16H23FN2O3 — CID 113164320

IUPAC2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(CCc1ccc(F)cc1)C(C)=O
InChIInChI=1S/C16H23FN2O3/c1-13(20)19(12-16(21)18-9-3-11-22-2)10-8-14-4-6-15(17)7-5-14/h4-7H,3,8-12H2,1-2H3,(H,18,21)
InChIKeyNBEGJBMDJOPSRN-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.37
Rot. Bonds9

About 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide

2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide (PubChem CID 113164320) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide
PubChem CID113164320
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(CCc1ccc(F)cc1)C(C)=O
InChIInChI=1S/C16H23FN2O3/c1-13(20)19(12-16(21)18-9-3-11-22-2)10-8-14-4-6-15(17)7-5-14/h4-7H,3,8-12H2,1-2H3,(H,18,21)
InChIKeyNBEGJBMDJOPSRN-UHFFFAOYSA-N
XLogP1.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[acetyl(3-methoxypropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 113160044
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(3-methoxypropyl)acetamide
CID 113160778
4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045277
N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]butanamide
CID 113055720
2-[acetyl(3-methoxypropyl)amino]-N-butylacetamide
CID 113159992
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(4-ethylphenyl)acetamide
CID 113164399
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 113164396
3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide
CID 70870353
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-fluorophenyl)acetamide
CID 113164409
2-(4-fluorophenyl)-N-[4-(4-fluorophenyl)butyl]acetamide
CID 110288734
N-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)acetamide
CID 22660909
ethyl N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]carbamate
CID 113055776

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide (CID 113164320) is 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN(CCc1ccc(F)cc1)C(C)=O.
What is the InChIKey of 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide?
The InChIKey is NBEGJBMDJOPSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-13(20)19(12-16(21)18-9-3-11-22-2)10-8-14-4-6-15(17)7-5-14/h4-7H,3,8-12H2,1-2H3,(H,18,21).
What are the key properties of 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide?
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide has a molecular weight of 310.37 g/mol, XLogP of 1.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 113164320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).