2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-methylbutanamide

C23H30N2O3 — CID 132657494

IUPAC2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-methylbutanamide
SMILESCCc1ccc(OCC(=O)N(Cc2cccc(C)c2)C(CC)C(=O)NC)cc1
InChIInChI=1S/C23H30N2O3/c1-5-18-10-12-20(13-11-18)28-16-22(26)25(21(6-2)23(27)24-4)15-19-9-7-8-17(3)14-19/h7-14,21H,5-6,15-16H2,1-4H3,(H,24,27)
InChIKeyJKDBFGWQAZDOMR-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.49
Rot. Bonds9

About 2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-methylbutanamide

2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-methylbutanamide (PubChem CID 132657494) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-methylbutanamide.

Molecular Properties

Compound Name2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-methylbutanamide
PubChem CID132657494
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-methylbutanamide
SMILESCCc1ccc(OCC(=O)N(Cc2cccc(C)c2)C(CC)C(=O)NC)cc1
InChIInChI=1S/C23H30N2O3/c1-5-18-10-12-20(13-11-18)28-16-22(26)25(21(6-2)23(27)24-4)15-19-9-7-8-17(3)14-19/h7-14,21H,5-6,15-16H2,1-4H3,(H,24,27)
InChIKeyJKDBFGWQAZDOMR-UHFFFAOYSA-N
XLogP3.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132663730
2-[[2-(4-chlorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylbutanamide
CID 132661948
N-butan-2-yl-2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132707034
2-[[2-(4-ethylphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132714114
(2S)-2-[[2-(4-ethylphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 100501035
2-[[2-(3-methoxy-4-nitrophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-methylbutanamide
CID 132668724
(2S)-2-[[2-(4-ethylphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propylbutanamide
CID 100609821
N-methyl-2-[(3-methylphenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-3-phenylpropanamide
CID 132613852
2-[[2-(4-tert-butylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 132615726
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(4-iodophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 100675295
2-[[2-(4-ethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-methylbutanamide
CID 132657492
2-[[2-(3,4-dimethylphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-methylbutanamide
CID 132660808

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-methylbutanamide?
The IUPAC name of 2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-methylbutanamide (CID 132657494) is 2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-methylbutanamide.
What is the SMILES notation for 2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-methylbutanamide?
The canonical SMILES for 2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-methylbutanamide is CCc1ccc(OCC(=O)N(Cc2cccc(C)c2)C(CC)C(=O)NC)cc1.
What is the InChIKey of 2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-methylbutanamide?
The InChIKey is JKDBFGWQAZDOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-5-18-10-12-20(13-11-18)28-16-22(26)25(21(6-2)23(27)24-4)15-19-9-7-8-17(3)14-19/h7-14,21H,5-6,15-16H2,1-4H3,(H,24,27).
What are the key properties of 2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-methylbutanamide?
2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-methylbutanamide has a molecular weight of 382.50 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-methylbutanamide is sourced from PubChem (CID 132657494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).