3-benzyl-N-(2-methoxyethyl)-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide

C28H29N3O5 — CID 42840718

IUPAC3-benzyl-N-(2-methoxyethyl)-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide
SMILESCOCCNC(=O)C1C(c2ccc(NC(=O)Cc3ccccc3)cc2)OC(=O)N1Cc1ccccc1
InChIInChI=1S/C28H29N3O5/c1-35-17-16-29-27(33)25-26(36-28(34)31(25)19-21-10-6-3-7-11-21)22-12-14-23(15-13-22)30-24(32)18-20-8-4-2-5-9-20/h2-15,25-26H,16-19H2,1H3,(H,29,33)(H,30,32)
InChIKeyVYQAUEIUYSOXOE-UHFFFAOYSA-N
MW487.56 g/mol
LogP3.69
Rot. Bonds10

About 3-benzyl-N-(2-methoxyethyl)-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide

3-benzyl-N-(2-methoxyethyl)-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide (PubChem CID 42840718) has the molecular formula C28H29N3O5 and a molecular weight of 487.56 g/mol. Its IUPAC name is 3-benzyl-N-(2-methoxyethyl)-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-(2-methoxyethyl)-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide
PubChem CID42840718
Molecular FormulaC28H29N3O5
Molecular Weight487.56 g/mol
Exact Mass487.21
IUPAC Name3-benzyl-N-(2-methoxyethyl)-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide
SMILESCOCCNC(=O)C1C(c2ccc(NC(=O)Cc3ccccc3)cc2)OC(=O)N1Cc1ccccc1
InChIInChI=1S/C28H29N3O5/c1-35-17-16-29-27(33)25-26(36-28(34)31(25)19-21-10-6-3-7-11-21)22-12-14-23(15-13-22)30-24(32)18-20-8-4-2-5-9-20/h2-15,25-26H,16-19H2,1H3,(H,29,33)(H,30,32)
InChIKeyVYQAUEIUYSOXOE-UHFFFAOYSA-N
XLogP3.69
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42840786
3-benzyl-N-(cyclopropylmethyl)-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide
CID 42840724
(4R,5S)-3-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-5-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93200927
(4R,5R)-3-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-5-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93200926
(4S,5S)-3-benzyl-N-[(2S)-butan-2-yl]-5-[4-[(2-methoxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93201242
(4S,5R)-3-benzyl-N-[(2S)-butan-2-yl]-5-[4-[(2-methoxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 99768280
(4S,5S)-N,3-dibenzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide
CID 93202179
3-benzyl-2-oxo-N-propyl-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 42840582
(4R,5S)-3-[(4-fluorophenyl)methyl]-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-N-[(1S)-1-phenylethyl]-1,3-oxazolidine-4-carboxamide
CID 98422904
3-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42841306
(4R,5S)-3-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-oxo-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 93203424
3-benzyl-5-[4-(butanoylamino)phenyl]-N-(furan-2-ylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42840739

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(2-methoxyethyl)-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide?
The IUPAC name of 3-benzyl-N-(2-methoxyethyl)-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide (CID 42840718) is 3-benzyl-N-(2-methoxyethyl)-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for 3-benzyl-N-(2-methoxyethyl)-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for 3-benzyl-N-(2-methoxyethyl)-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide is COCCNC(=O)C1C(c2ccc(NC(=O)Cc3ccccc3)cc2)OC(=O)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-N-(2-methoxyethyl)-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide?
The InChIKey is VYQAUEIUYSOXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O5/c1-35-17-16-29-27(33)25-26(36-28(34)31(25)19-21-10-6-3-7-11-21)22-12-14-23(15-13-22)30-24(32)18-20-8-4-2-5-9-20/h2-15,25-26H,16-19H2,1H3,(H,29,33)(H,30,32).
What are the key properties of 3-benzyl-N-(2-methoxyethyl)-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide?
3-benzyl-N-(2-methoxyethyl)-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide has a molecular weight of 487.56 g/mol, XLogP of 3.69, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(2-methoxyethyl)-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42840718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).