2-[[2-(4-chlorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylbutanamide

C22H27ClN2O3 — CID 132661948

IUPAC2-[[2-(4-chlorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylbutanamide
SMILESCCNC(=O)C(CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C22H27ClN2O3/c1-4-20(22(27)24-5-2)25(14-17-8-6-7-16(3)13-17)21(26)15-28-19-11-9-18(23)10-12-19/h6-13,20H,4-5,14-15H2,1-3H3,(H,24,27)
InChIKeyTUVIRTNZYBDTKO-UHFFFAOYSA-N
MW402.92 g/mol
LogP3.97
Rot. Bonds9

About 2-[[2-(4-chlorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylbutanamide

2-[[2-(4-chlorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylbutanamide (PubChem CID 132661948) has the molecular formula C22H27ClN2O3 and a molecular weight of 402.92 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylbutanamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylbutanamide
PubChem CID132661948
Molecular FormulaC22H27ClN2O3
Molecular Weight402.92 g/mol
Exact Mass402.17
IUPAC Name2-[[2-(4-chlorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylbutanamide
SMILESCCNC(=O)C(CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C22H27ClN2O3/c1-4-20(22(27)24-5-2)25(14-17-8-6-7-16(3)13-17)21(26)15-28-19-11-9-18(23)10-12-19/h6-13,20H,4-5,14-15H2,1-3H3,(H,24,27)
InChIKeyTUVIRTNZYBDTKO-UHFFFAOYSA-N
XLogP3.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-chlorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132612049
2-[[2-(4-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-N-ethylbutanamide
CID 132667182
2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132663730
2-[(4-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide
CID 132659011
N-ethyl-2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]butanamide
CID 132660873
2-[(4-chlorophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]-N-ethylbutanamide
CID 132665359
2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-methylbutanamide
CID 132657494
N-butyl-2-[4-(4-chlorophenoxy)butanoyl-[(3-methylphenyl)methyl]amino]butanamide
CID 132719336
N-ethyl-2-[[2-(3-methylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 132657591
N-ethyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 132614086
4-(4-chlorophenoxy)-N-[1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-N-[(3-methylphenyl)methyl]butanamide
CID 132618382
N-ethyl-2-[[2-(3-methylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 132612194

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylbutanamide?
The IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylbutanamide (CID 132661948) is 2-[[2-(4-chlorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylbutanamide.
What is the SMILES notation for 2-[[2-(4-chlorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylbutanamide?
The canonical SMILES for 2-[[2-(4-chlorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylbutanamide is CCNC(=O)C(CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-(4-chlorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylbutanamide?
The InChIKey is TUVIRTNZYBDTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3/c1-4-20(22(27)24-5-2)25(14-17-8-6-7-16(3)13-17)21(26)15-28-19-11-9-18(23)10-12-19/h6-13,20H,4-5,14-15H2,1-3H3,(H,24,27).
What are the key properties of 2-[[2-(4-chlorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylbutanamide?
2-[[2-(4-chlorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylbutanamide has a molecular weight of 402.92 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylbutanamide is sourced from PubChem (CID 132661948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).