N-[[(5S)-3-(3,4-dimethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide

C23H28N2O6 — CID 40940915

IUPACN-[[(5S)-3-(3,4-dimethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCOc1ccc(N2C[C@H](CNC(=O)COc3ccc(C(C)C)cc3)OC2=O)cc1OC
InChIInChI=1S/C23H28N2O6/c1-15(2)16-5-8-18(9-6-16)30-14-22(26)24-12-19-13-25(23(27)31-19)17-7-10-20(28-3)21(11-17)29-4/h5-11,15,19H,12-14H2,1-4H3,(H,24,26)/t19-/m0/s1
InChIKeyGZUWDZZBLCIPAG-IBGZPJMESA-N
MW428.49 g/mol
LogP3.35
Rot. Bonds9

About N-[[(5S)-3-(3,4-dimethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide

N-[[(5S)-3-(3,4-dimethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 40940915) has the molecular formula C23H28N2O6 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[[(5S)-3-(3,4-dimethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-(3,4-dimethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID40940915
Molecular FormulaC23H28N2O6
Molecular Weight428.49 g/mol
Exact Mass428.19
IUPAC NameN-[[(5S)-3-(3,4-dimethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCOc1ccc(N2C[C@H](CNC(=O)COc3ccc(C(C)C)cc3)OC2=O)cc1OC
InChIInChI=1S/C23H28N2O6/c1-15(2)16-5-8-18(9-6-16)30-14-22(26)24-12-19-13-25(23(27)31-19)17-7-10-20(28-3)21(11-17)29-4/h5-11,15,19H,12-14H2,1-4H3,(H,24,26)/t19-/m0/s1
InChIKeyGZUWDZZBLCIPAG-IBGZPJMESA-N
XLogP3.35
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(3,4-dimethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 16922152
N-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 40925353
N-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-methylphenoxy)acetamide
CID 16921393
2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 16920637
N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenoxyacetamide
CID 110327784
N-[[(5S)-3-(4-iodo-3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57270308
N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylacetamide
CID 110328345
3,4-dimethoxy-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 16920432
N-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methylpropanamide
CID 16921301
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(2-methylphenoxy)acetamide
CID 16921088
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methoxybenzamide
CID 110328021
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-[[(5S)-3-(3,4-dimethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[[(5S)-3-(3,4-dimethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide (CID 40940915) is N-[[(5S)-3-(3,4-dimethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[[(5S)-3-(3,4-dimethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[[(5S)-3-(3,4-dimethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide is COc1ccc(N2C[C@H](CNC(=O)COc3ccc(C(C)C)cc3)OC2=O)cc1OC.
What is the InChIKey of N-[[(5S)-3-(3,4-dimethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is GZUWDZZBLCIPAG-IBGZPJMESA-N. The full InChI is InChI=1S/C23H28N2O6/c1-15(2)16-5-8-18(9-6-16)30-14-22(26)24-12-19-13-25(23(27)31-19)17-7-10-20(28-3)21(11-17)29-4/h5-11,15,19H,12-14H2,1-4H3,(H,24,26)/t19-/m0/s1.
What are the key properties of N-[[(5S)-3-(3,4-dimethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide?
N-[[(5S)-3-(3,4-dimethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 428.49 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-(3,4-dimethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 40940915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).