2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-N-(4-methylphenyl)acetamide

C22H28N2O3 — CID 78899688

IUPAC2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-N-(4-methylphenyl)acetamide
SMILESCOc1cccc(CN(CC(=O)Nc2ccc(C)cc2)CC2CCCO2)c1
InChIInChI=1S/C22H28N2O3/c1-17-8-10-19(11-9-17)23-22(25)16-24(15-21-7-4-12-27-21)14-18-5-3-6-20(13-18)26-2/h3,5-6,8-11,13,21H,4,7,12,14-16H2,1-2H3,(H,23,25)
InChIKeyLHIVDIQSWXKYTE-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.62
Rot. Bonds8

About 2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-N-(4-methylphenyl)acetamide

2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-N-(4-methylphenyl)acetamide (PubChem CID 78899688) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-N-(4-methylphenyl)acetamide
PubChem CID78899688
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-N-(4-methylphenyl)acetamide
SMILESCOc1cccc(CN(CC(=O)Nc2ccc(C)cc2)CC2CCCO2)c1
InChIInChI=1S/C22H28N2O3/c1-17-8-10-19(11-9-17)23-22(25)16-24(15-21-7-4-12-27-21)14-18-5-3-6-20(13-18)26-2/h3,5-6,8-11,13,21H,4,7,12,14-16H2,1-2H3,(H,23,25)
InChIKeyLHIVDIQSWXKYTE-UHFFFAOYSA-N
XLogP3.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 60514317
2-[benzyl(oxolan-2-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 55995832
2-[benzyl(oxolan-2-ylmethyl)amino]-N-(3-ethylphenyl)acetamide
CID 55840577
3-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)thiourea
CID 4105893
N-(4-fluorophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 78899690
N-[(3-methoxyphenyl)methyl]-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 75387976
N-(3-methoxyphenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 78722797
2-[methyl-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-(4-methylphenyl)acetamide
CID 9055447
N-(4-acetamidophenyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055247
N-(4-acetamidophenyl)-2-[ethyl-[(3-methoxyphenyl)methyl]amino]acetamide
CID 8779580
1-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]pentan-2-ol
CID 24713843
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 124591748

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-N-(4-methylphenyl)acetamide (CID 78899688) is 2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-N-(4-methylphenyl)acetamide is COc1cccc(CN(CC(=O)Nc2ccc(C)cc2)CC2CCCO2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-N-(4-methylphenyl)acetamide?
The InChIKey is LHIVDIQSWXKYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-17-8-10-19(11-9-17)23-22(25)16-24(15-21-7-4-12-27-21)14-18-5-3-6-20(13-18)26-2/h3,5-6,8-11,13,21H,4,7,12,14-16H2,1-2H3,(H,23,25).
What are the key properties of 2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-N-(4-methylphenyl)acetamide?
2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-N-(4-methylphenyl)acetamide has a molecular weight of 368.48 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 78899688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).