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

C22H27ClN2O3 — CID 132661910

IUPAC2-[[2-(3-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide
SMILESCCNC(=O)C(CC)N(CCc1ccccc1)C(=O)COc1cccc(Cl)c1
InChIInChI=1S/C22H27ClN2O3/c1-3-20(22(27)24-4-2)25(14-13-17-9-6-5-7-10-17)21(26)16-28-19-12-8-11-18(23)15-19/h5-12,15,20H,3-4,13-14,16H2,1-2H3,(H,24,27)
InChIKeyNCQJFJPWCWRFGN-UHFFFAOYSA-N
MW402.92 g/mol
LogP3.70
Rot. Bonds10

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

2-[[2-(3-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide (PubChem CID 132661910) has the molecular formula C22H27ClN2O3 and a molecular weight of 402.92 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide.

Molecular Properties

Compound Name2-[[2-(3-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide
PubChem CID132661910
Molecular FormulaC22H27ClN2O3
Molecular Weight402.92 g/mol
Exact Mass402.17
IUPAC Name2-[[2-(3-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide
SMILESCCNC(=O)C(CC)N(CCc1ccccc1)C(=O)COc1cccc(Cl)c1
InChIInChI=1S/C22H27ClN2O3/c1-3-20(22(27)24-4-2)25(14-13-17-9-6-5-7-10-17)21(26)16-28-19-12-8-11-18(23)15-19/h5-12,15,20H,3-4,13-14,16H2,1-2H3,(H,24,27)
InChIKeyNCQJFJPWCWRFGN-UHFFFAOYSA-N
XLogP3.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclopentylbutanamide
CID 132612029
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide
CID 132677307
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
(2S)-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100513778
(2S)-2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 100626355
2-[benzyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide
CID 132653456
2-[(4-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide
CID 132659011
N-ethyl-2-[(2-phenylacetyl)-(2-phenylethyl)amino]butanamide
CID 132653231
(2R)-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide
CID 100635750
2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-ethylpropanamide
CID 132665263
(2S)-2-[[2-(4-ethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 100635735

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide?
The IUPAC name of 2-[[2-(3-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide (CID 132661910) is 2-[[2-(3-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide.
What is the SMILES notation for 2-[[2-(3-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide?
The canonical SMILES for 2-[[2-(3-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide is CCNC(=O)C(CC)N(CCc1ccccc1)C(=O)COc1cccc(Cl)c1.
What is the InChIKey of 2-[[2-(3-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide?
The InChIKey is NCQJFJPWCWRFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3/c1-3-20(22(27)24-4-2)25(14-13-17-9-6-5-7-10-17)21(26)16-28-19-12-8-11-18(23)15-19/h5-12,15,20H,3-4,13-14,16H2,1-2H3,(H,24,27).
What are the key properties of 2-[[2-(3-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide?
2-[[2-(3-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide has a molecular weight of 402.92 g/mol, XLogP of 3.70, 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-ethylbutanamide is sourced from PubChem (CID 132661910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).