2-[(4-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide

C21H25ClN2O3 — CID 132659011

IUPAC2-[(4-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide
SMILESCCNC(=O)C(CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1
InChIInChI=1S/C21H25ClN2O3/c1-3-19(21(26)23-4-2)24(14-16-10-12-17(22)13-11-16)20(25)15-27-18-8-6-5-7-9-18/h5-13,19H,3-4,14-15H2,1-2H3,(H,23,26)
InChIKeyUARWPCNCNGJEEN-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.66
Rot. Bonds9

About 2-[(4-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide

2-[(4-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide (PubChem CID 132659011) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide
PubChem CID132659011
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name2-[(4-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide
SMILESCCNC(=O)C(CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1
InChIInChI=1S/C21H25ClN2O3/c1-3-19(21(26)23-4-2)24(14-16-10-12-17(22)13-11-16)20(25)15-27-18-8-6-5-7-9-18/h5-13,19H,3-4,14-15H2,1-2H3,(H,23,26)
InChIKeyUARWPCNCNGJEEN-UHFFFAOYSA-N
XLogP3.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-N-ethylbutanamide
CID 132667182
2-[benzyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide
CID 132653456
2-[(4-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-cyclohexylbutanamide
CID 132612093
2-[(4-chlorophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]-N-ethylbutanamide
CID 132665359
2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide
CID 132657878
2-[[2-(4-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-N-methylbutanamide
CID 132663458
(2S)-2-[benzyl-(2-phenoxyacetyl)amino]-N-propylbutanamide
CID 100536498
2-[(4-chlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-ethyl-3-phenylpropanamide
CID 132615310
2-[[2-(4-chlorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylbutanamide
CID 132661948
(2R)-2-[benzyl-[2-(4-chlorophenoxy)acetyl]amino]-N-[(2S)-butan-2-yl]butanamide
CID 100640525
N-ethyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]butanamide
CID 132664540
(2S)-2-[[2-(4-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-propylbutanamide
CID 100612422

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide (CID 132659011) is 2-[(4-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide is CCNC(=O)C(CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide?
The InChIKey is UARWPCNCNGJEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-3-19(21(26)23-4-2)24(14-16-10-12-17(22)13-11-16)20(25)15-27-18-8-6-5-7-9-18/h5-13,19H,3-4,14-15H2,1-2H3,(H,23,26).
What are the key properties of 2-[(4-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide?
2-[(4-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide has a molecular weight of 388.90 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide is sourced from PubChem (CID 132659011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).