N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(4-methoxyphenyl)propanamide

C22H26N2O4 — CID 110328128

IUPACN-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC2CN(c3cc(C)cc(C)c3)C(=O)O2)cc1
InChIInChI=1S/C22H26N2O4/c1-15-10-16(2)12-18(11-15)24-14-20(28-22(24)26)13-23-21(25)9-6-17-4-7-19(27-3)8-5-17/h4-5,7-8,10-12,20H,6,9,13-14H2,1-3H3,(H,23,25)
InChIKeyHJLAEKWLKKNCRU-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.39
Rot. Bonds7

About N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(4-methoxyphenyl)propanamide

N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 110328128) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(4-methoxyphenyl)propanamide
PubChem CID110328128
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC2CN(c3cc(C)cc(C)c3)C(=O)O2)cc1
InChIInChI=1S/C22H26N2O4/c1-15-10-16(2)12-18(11-15)24-14-20(28-22(24)26)13-23-21(25)9-6-17-4-7-19(27-3)8-5-17/h4-5,7-8,10-12,20H,6,9,13-14H2,1-3H3,(H,23,25)
InChIKeyHJLAEKWLKKNCRU-UHFFFAOYSA-N
XLogP3.39
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 16920833
3-(4-methoxyphenyl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide
CID 112532629
N-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-methylphenoxy)acetamide
CID 16921393
N-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pentanamide
CID 16921302
N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenylpropanamide
CID 110367951
2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 16920637
N,N-dimethyl-4-[3-oxo-3-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methylamino]propyl]benzamide
CID 110311010
N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 110367352
N-[[(5S)-3-[3,5-difluoro-4-[(1R,5S)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 58978121
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methoxybenzamide
CID 110328021
N-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methylpropanamide
CID 16921301
N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-phenoxypropanamide
CID 110327898

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(4-methoxyphenyl)propanamide (CID 110328128) is N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCC2CN(c3cc(C)cc(C)c3)C(=O)O2)cc1.
What is the InChIKey of N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is HJLAEKWLKKNCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-15-10-16(2)12-18(11-15)24-14-20(28-22(24)26)13-23-21(25)9-6-17-4-7-19(27-3)8-5-17/h4-5,7-8,10-12,20H,6,9,13-14H2,1-3H3,(H,23,25).
What are the key properties of N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(4-methoxyphenyl)propanamide?
N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 382.46 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 110328128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).