2-[benzyl(oxolan-2-ylmethyl)amino]-N-(3-ethylphenyl)acetamide

C22H28N2O2 — CID 55840577

IUPAC2-[benzyl(oxolan-2-ylmethyl)amino]-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CN(Cc2ccccc2)CC2CCCO2)c1
InChIInChI=1S/C22H28N2O2/c1-2-18-10-6-11-20(14-18)23-22(25)17-24(16-21-12-7-13-26-21)15-19-8-4-3-5-9-19/h3-6,8-11,14,21H,2,7,12-13,15-17H2,1H3,(H,23,25)
InChIKeyNMKOSNWXPUEAHN-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.87
Rot. Bonds8

About 2-[benzyl(oxolan-2-ylmethyl)amino]-N-(3-ethylphenyl)acetamide

2-[benzyl(oxolan-2-ylmethyl)amino]-N-(3-ethylphenyl)acetamide (PubChem CID 55840577) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-[benzyl(oxolan-2-ylmethyl)amino]-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(oxolan-2-ylmethyl)amino]-N-(3-ethylphenyl)acetamide
PubChem CID55840577
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-[benzyl(oxolan-2-ylmethyl)amino]-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CN(Cc2ccccc2)CC2CCCO2)c1
InChIInChI=1S/C22H28N2O2/c1-2-18-10-6-11-20(14-18)23-22(25)17-24(16-21-12-7-13-26-21)15-19-8-4-3-5-9-19/h3-6,8-11,14,21H,2,7,12-13,15-17H2,1H3,(H,23,25)
InChIKeyNMKOSNWXPUEAHN-UHFFFAOYSA-N
XLogP3.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 60514317
3-[[2-[benzyl(oxolan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide
CID 55994012
2-[benzyl(oxolan-2-ylmethyl)amino]-N-(2-fluorophenyl)acetamide
CID 78899950
N-(3-acetylphenyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 60585132
2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-N-(4-methylphenyl)acetamide
CID 78899688
2-[benzyl(oxolan-2-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 55995832
methyl 2-[[2-[benzyl(oxolan-2-ylmethyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 60565348
N-ethyl-3-[[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide
CID 8926142
N-(1-acetylpiperidin-4-yl)-2-[benzyl(oxolan-2-ylmethyl)amino]acetamide
CID 55995840
N-(3-methylsulfanylphenyl)-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 18197685
N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 87018083
2-[benzyl(oxolan-2-ylmethyl)amino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 60570632

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(oxolan-2-ylmethyl)amino]-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-[benzyl(oxolan-2-ylmethyl)amino]-N-(3-ethylphenyl)acetamide (CID 55840577) is 2-[benzyl(oxolan-2-ylmethyl)amino]-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-[benzyl(oxolan-2-ylmethyl)amino]-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-[benzyl(oxolan-2-ylmethyl)amino]-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)CN(Cc2ccccc2)CC2CCCO2)c1.
What is the InChIKey of 2-[benzyl(oxolan-2-ylmethyl)amino]-N-(3-ethylphenyl)acetamide?
The InChIKey is NMKOSNWXPUEAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-2-18-10-6-11-20(14-18)23-22(25)17-24(16-21-12-7-13-26-21)15-19-8-4-3-5-9-19/h3-6,8-11,14,21H,2,7,12-13,15-17H2,1H3,(H,23,25).
What are the key properties of 2-[benzyl(oxolan-2-ylmethyl)amino]-N-(3-ethylphenyl)acetamide?
2-[benzyl(oxolan-2-ylmethyl)amino]-N-(3-ethylphenyl)acetamide has a molecular weight of 352.48 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(oxolan-2-ylmethyl)amino]-N-(3-ethylphenyl)acetamide is sourced from PubChem (CID 55840577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).