2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylpropanamide

C27H35FN2O3 — CID 132613367

IUPAC2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C27H35FN2O3/c1-19(26(32)29-23-7-5-6-8-23)30(17-20-9-13-22(28)14-10-20)25(31)18-33-24-15-11-21(12-16-24)27(2,3)4/h9-16,19,23H,5-8,17-18H2,1-4H3,(H,29,32)
InChIKeyKXXNYOCNKRUPSP-UHFFFAOYSA-N
MW454.59 g/mol
LogP4.98
Rot. Bonds8

About 2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylpropanamide

2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylpropanamide (PubChem CID 132613367) has the molecular formula C27H35FN2O3 and a molecular weight of 454.59 g/mol. Its IUPAC name is 2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylpropanamide
PubChem CID132613367
Molecular FormulaC27H35FN2O3
Molecular Weight454.59 g/mol
Exact Mass454.26
IUPAC Name2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C27H35FN2O3/c1-19(26(32)29-23-7-5-6-8-23)30(17-20-9-13-22(28)14-10-20)25(31)18-33-24-15-11-21(12-16-24)27(2,3)4/h9-16,19,23H,5-8,17-18H2,1-4H3,(H,29,32)
InChIKeyKXXNYOCNKRUPSP-UHFFFAOYSA-N
XLogP4.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.59
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-bromophenyl)methyl-[2-(4-tert-butylphenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 100569699
2-[3-(4-tert-butylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 132613164
2-[[2-(4-tert-butylphenoxy)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 132620004
(2R)-N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]propanamide
CID 100501111
2-[[2-(4-chloro-3-methylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 132612425
2-[(3-chlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 133263757
(2S)-N-cyclohexyl-2-[[2-(4-fluorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100559346
N-cyclopentyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide
CID 132760515
N-cyclopentyl-2-[[2-(4-ethylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 132948025
(2R)-2-[[2-(2-tert-butylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100516332
(2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]propanamide
CID 100511836
N-cyclohexyl-2-[[2-(4-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132984690

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylpropanamide?
The IUPAC name of 2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylpropanamide (CID 132613367) is 2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylpropanamide?
The canonical SMILES for 2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylpropanamide is CC(C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylpropanamide?
The InChIKey is KXXNYOCNKRUPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN2O3/c1-19(26(32)29-23-7-5-6-8-23)30(17-20-9-13-22(28)14-10-20)25(31)18-33-24-15-11-21(12-16-24)27(2,3)4/h9-16,19,23H,5-8,17-18H2,1-4H3,(H,29,32).
What are the key properties of 2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylpropanamide?
2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylpropanamide has a molecular weight of 454.59 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylpropanamide is sourced from PubChem (CID 132613367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).