2-[[2-(4-ethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-methylbutanamide

C23H30N2O3 — CID 132657492

IUPAC2-[[2-(4-ethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-methylbutanamide
SMILESCCc1ccc(OCC(=O)N(CCc2ccccc2)C(CC)C(=O)NC)cc1
InChIInChI=1S/C23H30N2O3/c1-4-18-11-13-20(14-12-18)28-17-22(26)25(21(5-2)23(27)24-3)16-15-19-9-7-6-8-10-19/h6-14,21H,4-5,15-17H2,1-3H3,(H,24,27)
InChIKeyRJSSOIHGIUIQSW-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.22
Rot. Bonds10

About 2-[[2-(4-ethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-methylbutanamide

2-[[2-(4-ethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-methylbutanamide (PubChem CID 132657492) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-[[2-(4-ethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-methylbutanamide.

Molecular Properties

Compound Name2-[[2-(4-ethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-methylbutanamide
PubChem CID132657492
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-[[2-(4-ethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-methylbutanamide
SMILESCCc1ccc(OCC(=O)N(CCc2ccccc2)C(CC)C(=O)NC)cc1
InChIInChI=1S/C23H30N2O3/c1-4-18-11-13-20(14-12-18)28-17-22(26)25(21(5-2)23(27)24-3)16-15-19-9-7-6-8-10-19/h6-14,21H,4-5,15-17H2,1-3H3,(H,24,27)
InChIKeyRJSSOIHGIUIQSW-UHFFFAOYSA-N
XLogP3.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-(4-ethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 100635735
(2S)-2-[[2-(4-methylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 100637813
2-[[2-(4-ethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 132660432
(2R)-2-[[2-(4-methylphenoxy)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100515152
2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-methylbutanamide
CID 132655548
(2S)-2-[[2-(4-bromophenoxy)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100513555
2-[[2-(4-iodophenoxy)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 132731767
2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide
CID 132709843
(2S)-2-[[2-(4-tert-butylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 100635612
(2R)-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide
CID 100635750
2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-methylbutanamide
CID 132657494
N-butyl-2-[[2-(4-iodophenoxy)acetyl]-(2-phenylethyl)amino]butanamide
CID 132731775

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-methylbutanamide?
The IUPAC name of 2-[[2-(4-ethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-methylbutanamide (CID 132657492) is 2-[[2-(4-ethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-methylbutanamide.
What is the SMILES notation for 2-[[2-(4-ethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-methylbutanamide?
The canonical SMILES for 2-[[2-(4-ethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-methylbutanamide is CCc1ccc(OCC(=O)N(CCc2ccccc2)C(CC)C(=O)NC)cc1.
What is the InChIKey of 2-[[2-(4-ethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-methylbutanamide?
The InChIKey is RJSSOIHGIUIQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-4-18-11-13-20(14-12-18)28-17-22(26)25(21(5-2)23(27)24-3)16-15-19-9-7-6-8-10-19/h6-14,21H,4-5,15-17H2,1-3H3,(H,24,27).
What are the key properties of 2-[[2-(4-ethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-methylbutanamide?
2-[[2-(4-ethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-methylbutanamide has a molecular weight of 382.50 g/mol, XLogP of 3.22, 10 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]-(2-phenylethyl)amino]-N-methylbutanamide is sourced from PubChem (CID 132657492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).