2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide

C22H28N2O4 — CID 132657878

IUPAC2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide
SMILESCCNC(=O)C(CC)N(Cc1ccccc1)C(=O)COc1ccc(OC)cc1
InChIInChI=1S/C22H28N2O4/c1-4-20(22(26)23-5-2)24(15-17-9-7-6-8-10-17)21(25)16-28-19-13-11-18(27-3)12-14-19/h6-14,20H,4-5,15-16H2,1-3H3,(H,23,26)
InChIKeyVHQSCEWJJSTMEQ-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.02
Rot. Bonds10

About 2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide

2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide (PubChem CID 132657878) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide.

Molecular Properties

Compound Name2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide
PubChem CID132657878
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide
SMILESCCNC(=O)C(CC)N(Cc1ccccc1)C(=O)COc1ccc(OC)cc1
InChIInChI=1S/C22H28N2O4/c1-4-20(22(26)23-5-2)24(15-17-9-7-6-8-10-17)21(25)16-28-19-13-11-18(27-3)12-14-19/h6-14,20H,4-5,15-16H2,1-3H3,(H,23,26)
InChIKeyVHQSCEWJJSTMEQ-UHFFFAOYSA-N
XLogP3.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]butanamide
CID 132664540
2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-propylbutanamide
CID 132660834
2-[benzyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide
CID 132653456
2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-methylbutanamide
CID 132655548
2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-butan-2-ylbutanamide
CID 132707479
(2S)-2-[benzyl-(2-phenoxyacetyl)amino]-N-propylbutanamide
CID 100536498
2-[(4-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide
CID 132659011
N-ethyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 132616204
2-[[2-(4-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-N-ethylbutanamide
CID 132667182
N-ethyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 132614086
(2R)-2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 100579080
2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide
CID 132675208

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide?
The IUPAC name of 2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide (CID 132657878) is 2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide.
What is the SMILES notation for 2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide?
The canonical SMILES for 2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide is CCNC(=O)C(CC)N(Cc1ccccc1)C(=O)COc1ccc(OC)cc1.
What is the InChIKey of 2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide?
The InChIKey is VHQSCEWJJSTMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-4-20(22(26)23-5-2)24(15-17-9-7-6-8-10-17)21(25)16-28-19-13-11-18(27-3)12-14-19/h6-14,20H,4-5,15-16H2,1-3H3,(H,23,26).
What are the key properties of 2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide?
2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide has a molecular weight of 384.48 g/mol, XLogP of 3.02, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide is sourced from PubChem (CID 132657878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).