2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-butylpropanamide

C22H27FN2O3 — CID 132703567

IUPAC2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-butylpropanamide
SMILESCCCCNC(=O)C(C)N(Cc1ccccc1)C(=O)COc1ccccc1F
InChIInChI=1S/C22H27FN2O3/c1-3-4-14-24-22(27)17(2)25(15-18-10-6-5-7-11-18)21(26)16-28-20-13-9-8-12-19(20)23/h5-13,17H,3-4,14-16H2,1-2H3,(H,24,27)
InChIKeyNOBIQBBEVPAQDD-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.54
Rot. Bonds10

About 2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-butylpropanamide

2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-butylpropanamide (PubChem CID 132703567) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-butylpropanamide.

Molecular Properties

Compound Name2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-butylpropanamide
PubChem CID132703567
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC Name2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-butylpropanamide
SMILESCCCCNC(=O)C(C)N(Cc1ccccc1)C(=O)COc1ccccc1F
InChIInChI=1S/C22H27FN2O3/c1-3-4-14-24-22(27)17(2)25(15-18-10-6-5-7-11-18)21(26)16-28-20-13-9-8-12-19(20)23/h5-13,17H,3-4,14-16H2,1-2H3,(H,24,27)
InChIKeyNOBIQBBEVPAQDD-UHFFFAOYSA-N
XLogP3.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.54
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

(2S)-N-butyl-2-[(3-chlorophenyl)methyl-[2-(2-fluorophenoxy)acetyl]amino]propanamide
CID 100557590
(2S)-2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100647222
(2S)-N-butyl-2-[[2-(2-fluorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenylpropanamide
CID 100652054
(2R)-N-butyl-2-[[2-(2,3-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100564883
N-butyl-2-[[2-(2-methoxyphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132710933
N-butyl-2-[[2-(2-tert-butylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 132713693
2-[[2-(2-fluorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 132708312
2-[benzyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propylpropanamide
CID 132662254
2-[benzyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-butylpropanamide
CID 132706995
(2R)-2-[(4-bromophenyl)methyl-[2-(2-tert-butylphenoxy)acetyl]amino]-N-butylpropanamide
CID 100578702
N-butyl-2-[[2-(2,5-dimethylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132707929
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-propylpropanamide
CID 132655908

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-butylpropanamide?
The IUPAC name of 2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-butylpropanamide (CID 132703567) is 2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-butylpropanamide.
What is the SMILES notation for 2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-butylpropanamide?
The canonical SMILES for 2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-butylpropanamide is CCCCNC(=O)C(C)N(Cc1ccccc1)C(=O)COc1ccccc1F.
What is the InChIKey of 2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-butylpropanamide?
The InChIKey is NOBIQBBEVPAQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-3-4-14-24-22(27)17(2)25(15-18-10-6-5-7-11-18)21(26)16-28-20-13-9-8-12-19(20)23/h5-13,17H,3-4,14-16H2,1-2H3,(H,24,27).
What are the key properties of 2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-butylpropanamide?
2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-butylpropanamide has a molecular weight of 386.47 g/mol, XLogP of 3.54, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-butylpropanamide is sourced from PubChem (CID 132703567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).