ethyl 2-[4-methoxy-3-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-4-[(2-phenylacetyl)amino]phenoxy]phenyl]acetate

C29H30N2O7 — CID 58237430

IUPACethyl 2-[4-methoxy-3-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-4-[(2-phenylacetyl)amino]phenoxy]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(OC)c(Oc2ccc(NC(=O)Cc3ccccc3)cc2CN2CCOC2=O)c1
InChIInChI=1S/C29H30N2O7/c1-3-36-28(33)17-21-9-11-25(35-2)26(15-21)38-24-12-10-23(18-22(24)19-31-13-14-37-29(31)34)30-27(32)16-20-7-5-4-6-8-20/h4-12,15,18H,3,13-14,16-17,19H2,1-2H3,(H,30,32)
InChIKeyQQLLTPSDBMIDEA-UHFFFAOYSA-N
MW518.57 g/mol
LogP4.73
Rot. Bonds11

About ethyl 2-[4-methoxy-3-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-4-[(2-phenylacetyl)amino]phenoxy]phenyl]acetate

ethyl 2-[4-methoxy-3-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-4-[(2-phenylacetyl)amino]phenoxy]phenyl]acetate (PubChem CID 58237430) has the molecular formula C29H30N2O7 and a molecular weight of 518.57 g/mol. Its IUPAC name is ethyl 2-[4-methoxy-3-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-4-[(2-phenylacetyl)amino]phenoxy]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-methoxy-3-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-4-[(2-phenylacetyl)amino]phenoxy]phenyl]acetate
PubChem CID58237430
Molecular FormulaC29H30N2O7
Molecular Weight518.57 g/mol
Exact Mass518.21
IUPAC Nameethyl 2-[4-methoxy-3-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-4-[(2-phenylacetyl)amino]phenoxy]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(OC)c(Oc2ccc(NC(=O)Cc3ccccc3)cc2CN2CCOC2=O)c1
InChIInChI=1S/C29H30N2O7/c1-3-36-28(33)17-21-9-11-25(35-2)26(15-21)38-24-12-10-23(18-22(24)19-31-13-14-37-29(31)34)30-27(32)16-20-7-5-4-6-8-20/h4-12,15,18H,3,13-14,16-17,19H2,1-2H3,(H,30,32)
InChIKeyQQLLTPSDBMIDEA-UHFFFAOYSA-N
XLogP4.73
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.57
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[4-methoxy-3-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-4-[(2-phenylacetyl)amino]phenoxy]phenyl]acetate with MolForge

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Related Compounds

ethyl 2-[4-methoxy-3-[4-(2-methylsulfonylphenyl)-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenoxy]phenyl]acetate
CID 58237655
CID 89164293
CID 89164293
ethyl 2-[2-(2-oxopiperidin-1-yl)-5-[(2-phenylacetyl)amino]phenoxy]acetate
CID 70005902
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823029
3-[[5-[(cyclopropylamino)methyl]-2-methoxyphenyl]methyl]-1,3-oxazolidin-2-one
CID 62018003
4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid
CID 2738551
N-(3-benzyl-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 27038651
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55647454
ethyl 2-[3-[4-[(4-chlorobenzoyl)amino]-2-[[cyclopropanecarbonyl(ethyl)amino]methyl]phenoxy]-4-methoxyphenyl]acetate
CID 58288521
3-(3,4-dimethoxyphenyl)-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propanamide
CID 110668709
N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-(4-methoxyphenyl)acetamide
CID 16826905
ethyl 2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetate
CID 19318459

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-methoxy-3-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-4-[(2-phenylacetyl)amino]phenoxy]phenyl]acetate?
The IUPAC name of ethyl 2-[4-methoxy-3-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-4-[(2-phenylacetyl)amino]phenoxy]phenyl]acetate (CID 58237430) is ethyl 2-[4-methoxy-3-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-4-[(2-phenylacetyl)amino]phenoxy]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-methoxy-3-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-4-[(2-phenylacetyl)amino]phenoxy]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-methoxy-3-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-4-[(2-phenylacetyl)amino]phenoxy]phenyl]acetate is CCOC(=O)Cc1ccc(OC)c(Oc2ccc(NC(=O)Cc3ccccc3)cc2CN2CCOC2=O)c1.
What is the InChIKey of ethyl 2-[4-methoxy-3-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-4-[(2-phenylacetyl)amino]phenoxy]phenyl]acetate?
The InChIKey is QQLLTPSDBMIDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O7/c1-3-36-28(33)17-21-9-11-25(35-2)26(15-21)38-24-12-10-23(18-22(24)19-31-13-14-37-29(31)34)30-27(32)16-20-7-5-4-6-8-20/h4-12,15,18H,3,13-14,16-17,19H2,1-2H3,(H,30,32).
What are the key properties of ethyl 2-[4-methoxy-3-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-4-[(2-phenylacetyl)amino]phenoxy]phenyl]acetate?
ethyl 2-[4-methoxy-3-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-4-[(2-phenylacetyl)amino]phenoxy]phenyl]acetate has a molecular weight of 518.57 g/mol, XLogP of 4.73, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-methoxy-3-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-4-[(2-phenylacetyl)amino]phenoxy]phenyl]acetate is sourced from PubChem (CID 58237430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).