2-[[2-(3-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclopentylbutanamide

C25H31ClN2O3 — CID 132612029

IUPAC2-[[2-(3-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclopentylbutanamide
SMILESCCC(C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)COc1cccc(Cl)c1
InChIInChI=1S/C25H31ClN2O3/c1-2-23(25(30)27-21-12-6-7-13-21)28(16-15-19-9-4-3-5-10-19)24(29)18-31-22-14-8-11-20(26)17-22/h3-5,8-11,14,17,21,23H,2,6-7,12-13,15-16,18H2,1H3,(H,27,30)
InChIKeyKAUCHJAWEAMUPR-UHFFFAOYSA-N
MW442.99 g/mol
LogP4.63
Rot. Bonds10

About 2-[[2-(3-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclopentylbutanamide

2-[[2-(3-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclopentylbutanamide (PubChem CID 132612029) has the molecular formula C25H31ClN2O3 and a molecular weight of 442.99 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclopentylbutanamide.

Molecular Properties

Compound Name2-[[2-(3-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclopentylbutanamide
PubChem CID132612029
Molecular FormulaC25H31ClN2O3
Molecular Weight442.99 g/mol
Exact Mass442.20
IUPAC Name2-[[2-(3-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclopentylbutanamide
SMILESCCC(C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)COc1cccc(Cl)c1
InChIInChI=1S/C25H31ClN2O3/c1-2-23(25(30)27-21-12-6-7-13-21)28(16-15-19-9-4-3-5-10-19)24(29)18-31-22-14-8-11-20(26)17-22/h3-5,8-11,14,17,21,23H,2,6-7,12-13,15-16,18H2,1H3,(H,27,30)
InChIKeyKAUCHJAWEAMUPR-UHFFFAOYSA-N
XLogP4.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.99
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide
CID 132661910
(2R)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclohexylbutanamide
CID 100606971
(2S)-N-cyclohexyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]butanamide
CID 100606311
2-[[2-(3-chlorophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132613698
(2R)-2-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-(2-phenylethyl)amino]-N-cyclohexylbutanamide
CID 100601673
2-[[2-(3-chlorophenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132614186
2-[[2-(3-chlorophenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132620889
(2S)-2-[[2-(3-chlorophenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 100575567
(2R)-2-[[2-(3-chlorophenoxy)acetyl]-[(3-chlorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100553664
N-butyl-2-[[2-(3-chlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132708529
(2R)-2-[[2-(3-methylphenoxy)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100515131
2-[(4-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-cyclohexylbutanamide
CID 132612093

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclopentylbutanamide?
The IUPAC name of 2-[[2-(3-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclopentylbutanamide (CID 132612029) is 2-[[2-(3-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclopentylbutanamide.
What is the SMILES notation for 2-[[2-(3-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclopentylbutanamide?
The canonical SMILES for 2-[[2-(3-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclopentylbutanamide is CCC(C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)COc1cccc(Cl)c1.
What is the InChIKey of 2-[[2-(3-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclopentylbutanamide?
The InChIKey is KAUCHJAWEAMUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN2O3/c1-2-23(25(30)27-21-12-6-7-13-21)28(16-15-19-9-4-3-5-10-19)24(29)18-31-22-14-8-11-20(26)17-22/h3-5,8-11,14,17,21,23H,2,6-7,12-13,15-16,18H2,1H3,(H,27,30).
What are the key properties of 2-[[2-(3-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclopentylbutanamide?
2-[[2-(3-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclopentylbutanamide has a molecular weight of 442.99 g/mol, XLogP of 4.63, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclopentylbutanamide is sourced from PubChem (CID 132612029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).