N-[5-[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-oxoethyl]-2-methoxyphenyl]-2,2-dimethyl-N-(2-methylpropyl)propanamide

C28H36N2O5 — CID 69308487

IUPACN-[5-[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-oxoethyl]-2-methoxyphenyl]-2,2-dimethyl-N-(2-methylpropyl)propanamide
SMILESCOc1ccc(CC(=O)N2C(=O)OCC2Cc2ccccc2)cc1N(CC(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C28H36N2O5/c1-19(2)17-29(26(32)28(3,4)5)23-15-21(12-13-24(23)34-6)16-25(31)30-22(18-35-27(30)33)14-20-10-8-7-9-11-20/h7-13,15,19,22H,14,16-18H2,1-6H3
InChIKeyUXIPVRJIZMLNRF-UHFFFAOYSA-N
MW480.61 g/mol
LogP4.86
Rot. Bonds8

About N-[5-[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-oxoethyl]-2-methoxyphenyl]-2,2-dimethyl-N-(2-methylpropyl)propanamide

N-[5-[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-oxoethyl]-2-methoxyphenyl]-2,2-dimethyl-N-(2-methylpropyl)propanamide (PubChem CID 69308487) has the molecular formula C28H36N2O5 and a molecular weight of 480.61 g/mol. Its IUPAC name is N-[5-[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-oxoethyl]-2-methoxyphenyl]-2,2-dimethyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound NameN-[5-[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-oxoethyl]-2-methoxyphenyl]-2,2-dimethyl-N-(2-methylpropyl)propanamide
PubChem CID69308487
Molecular FormulaC28H36N2O5
Molecular Weight480.61 g/mol
Exact Mass480.26
IUPAC NameN-[5-[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-oxoethyl]-2-methoxyphenyl]-2,2-dimethyl-N-(2-methylpropyl)propanamide
SMILESCOc1ccc(CC(=O)N2C(=O)OCC2Cc2ccccc2)cc1N(CC(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C28H36N2O5/c1-19(2)17-29(26(32)28(3,4)5)23-15-21(12-13-24(23)34-6)16-25(31)30-22(18-35-27(30)33)14-20-10-8-7-9-11-20/h7-13,15,19,22H,14,16-18H2,1-6H3
InChIKeyUXIPVRJIZMLNRF-UHFFFAOYSA-N
XLogP4.86
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-3-[2-(4-methoxy-3-methylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 69145722
(4S)-4-benzyl-3-[2-(4-methoxy-3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one
CID 15180731
4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 15597771
(4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 11130206
4-benzyl-3-[2-(4-methylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 72957232
(4R)-4-benzyl-3-[2-(4-chloro-3-fluorophenyl)acetyl]-1,3-oxazolidin-2-one
CID 59580359
(4S)-3-[2-(3-benzoylphenyl)acetyl]-4-benzyl-1,3-oxazolidin-2-one
CID 15935410
4-benzyl-3-[2-[3-chloro-4-[ethoxy(2-methylpentan-3-yloxy)boranyl]phenyl]acetyl]-1,3-oxazolidin-2-one
CID 90914164
4-benzyl-3-[4-(4-methoxynaphthalen-1-yl)butanoyl]-1,3-oxazolidin-2-one
CID 134346351
(4R)-4-benzyl-3-(2-propan-2-yloxyacetyl)-1,3-oxazolidin-2-one
CID 90130755
(4R)-4-benzyl-3-[2-(2-ethylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 131876215
4-benzyl-3-(3-hydroxy-3-phenylbutanoyl)-1,3-oxazolidin-2-one
CID 118938439

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-oxoethyl]-2-methoxyphenyl]-2,2-dimethyl-N-(2-methylpropyl)propanamide?
The IUPAC name of N-[5-[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-oxoethyl]-2-methoxyphenyl]-2,2-dimethyl-N-(2-methylpropyl)propanamide (CID 69308487) is N-[5-[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-oxoethyl]-2-methoxyphenyl]-2,2-dimethyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for N-[5-[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-oxoethyl]-2-methoxyphenyl]-2,2-dimethyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for N-[5-[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-oxoethyl]-2-methoxyphenyl]-2,2-dimethyl-N-(2-methylpropyl)propanamide is COc1ccc(CC(=O)N2C(=O)OCC2Cc2ccccc2)cc1N(CC(C)C)C(=O)C(C)(C)C.
What is the InChIKey of N-[5-[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-oxoethyl]-2-methoxyphenyl]-2,2-dimethyl-N-(2-methylpropyl)propanamide?
The InChIKey is UXIPVRJIZMLNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O5/c1-19(2)17-29(26(32)28(3,4)5)23-15-21(12-13-24(23)34-6)16-25(31)30-22(18-35-27(30)33)14-20-10-8-7-9-11-20/h7-13,15,19,22H,14,16-18H2,1-6H3.
What are the key properties of N-[5-[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-oxoethyl]-2-methoxyphenyl]-2,2-dimethyl-N-(2-methylpropyl)propanamide?
N-[5-[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-oxoethyl]-2-methoxyphenyl]-2,2-dimethyl-N-(2-methylpropyl)propanamide has a molecular weight of 480.61 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-oxoethyl]-2-methoxyphenyl]-2,2-dimethyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 69308487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).