4-(2-ethoxyethoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide

C21H27NO4 — CID 54856940

IUPAC4-(2-ethoxyethoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide
SMILESCCOCCOc1ccc(C(=O)N(C)C(C)C(O)c2ccccc2)cc1
InChIInChI=1S/C21H27NO4/c1-4-25-14-15-26-19-12-10-18(11-13-19)21(24)22(3)16(2)20(23)17-8-6-5-7-9-17/h5-13,16,20,23H,4,14-15H2,1-3H3
InChIKeyQNJSIWQWLWAUOZ-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.30
Rot. Bonds9

About 4-(2-ethoxyethoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide

4-(2-ethoxyethoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide (PubChem CID 54856940) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide
PubChem CID54856940
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name4-(2-ethoxyethoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide
SMILESCCOCCOc1ccc(C(=O)N(C)C(C)C(O)c2ccccc2)cc1
InChIInChI=1S/C21H27NO4/c1-4-25-14-15-26-19-12-10-18(11-13-19)21(24)22(3)16(2)20(23)17-8-6-5-7-9-17/h5-13,16,20,23H,4,14-15H2,1-3H3
InChIKeyQNJSIWQWLWAUOZ-UHFFFAOYSA-N
XLogP3.30
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide
CID 158962259
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(2-phenoxyethoxy)benzamide
CID 54856797
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(4-phenylphenoxy)acetamide
CID 54856794
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11138684
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-(2-methylpropoxy)benzamide
CID 54856733
N,N-dimethyl-4-(2-phenoxyethoxy)benzamide
CID 28639806
N-(1-hydroxypropan-2-yl)-N-methyl-4-propoxybenzamide
CID 112548221
4-[[4-(2-ethoxyethoxy)benzoyl]amino]-N-methyl-N-phenylbenzamide
CID 17230295
ethyl 2-[[4-(2-ethoxyethoxy)benzoyl]-methylamino]acetate
CID 54785152
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide
CID 54856792
4-[[4-(2-ethoxyethoxy)benzoyl]amino]-N-(1-phenylethyl)benzamide
CID 43887636
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-(2-methylprop-2-enoxy)benzamide
CID 54856661

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide?
The IUPAC name of 4-(2-ethoxyethoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide (CID 54856940) is 4-(2-ethoxyethoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide.
What is the SMILES notation for 4-(2-ethoxyethoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide?
The canonical SMILES for 4-(2-ethoxyethoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide is CCOCCOc1ccc(C(=O)N(C)C(C)C(O)c2ccccc2)cc1.
What is the InChIKey of 4-(2-ethoxyethoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide?
The InChIKey is QNJSIWQWLWAUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-4-25-14-15-26-19-12-10-18(11-13-19)21(24)22(3)16(2)20(23)17-8-6-5-7-9-17/h5-13,16,20,23H,4,14-15H2,1-3H3.
What are the key properties of 4-(2-ethoxyethoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide?
4-(2-ethoxyethoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide has a molecular weight of 357.45 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide is sourced from PubChem (CID 54856940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).