methyl (2R)-3-[(2S)-4-[4-(dimethylcarbamoyl)phenyl]butan-2-yl]-5-phenyl-1,3-oxazolidine-2-carboxylate

C24H30N2O4 — CID 70392778

IUPACmethyl (2R)-3-[(2S)-4-[4-(dimethylcarbamoyl)phenyl]butan-2-yl]-5-phenyl-1,3-oxazolidine-2-carboxylate
SMILESCOC(=O)[C@H]1OC(c2ccccc2)CN1[C@@H](C)CCc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C24H30N2O4/c1-17(10-11-18-12-14-20(15-13-18)22(27)25(2)3)26-16-21(19-8-6-5-7-9-19)30-23(26)24(28)29-4/h5-9,12-15,17,21,23H,10-11,16H2,1-4H3/t17-,21?,23+/m0/s1
InChIKeyZTLPWWSENRGAIW-DRNTULDOSA-N
MW410.51 g/mol
LogP3.28
Rot. Bonds7

About methyl (2R)-3-[(2S)-4-[4-(dimethylcarbamoyl)phenyl]butan-2-yl]-5-phenyl-1,3-oxazolidine-2-carboxylate

methyl (2R)-3-[(2S)-4-[4-(dimethylcarbamoyl)phenyl]butan-2-yl]-5-phenyl-1,3-oxazolidine-2-carboxylate (PubChem CID 70392778) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is methyl (2R)-3-[(2S)-4-[4-(dimethylcarbamoyl)phenyl]butan-2-yl]-5-phenyl-1,3-oxazolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-3-[(2S)-4-[4-(dimethylcarbamoyl)phenyl]butan-2-yl]-5-phenyl-1,3-oxazolidine-2-carboxylate
PubChem CID70392778
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Namemethyl (2R)-3-[(2S)-4-[4-(dimethylcarbamoyl)phenyl]butan-2-yl]-5-phenyl-1,3-oxazolidine-2-carboxylate
SMILESCOC(=O)[C@H]1OC(c2ccccc2)CN1[C@@H](C)CCc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C24H30N2O4/c1-17(10-11-18-12-14-20(15-13-18)22(27)25(2)3)26-16-21(19-8-6-5-7-9-19)30-23(26)24(28)29-4/h5-9,12-15,17,21,23H,10-11,16H2,1-4H3/t17-,21?,23+/m0/s1
InChIKeyZTLPWWSENRGAIW-DRNTULDOSA-N
XLogP3.28
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (2R)-3-[(2S)-4-[4-(dimethylcarbamoyl)phenyl]butan-2-yl]-5-phenyl-1,3-oxazolidine-2-carboxylate with MolForge

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Related Compounds

methyl 3-[3-(4-methoxycarbonylphenyl)propyl]-5-phenyl-1,3-oxazolidine-2-carboxylate
CID 19847755
methyl 3-[3-(4-carbamoylphenyl)propyl]-5-phenyl-1,3-oxazolidine-2-carboxylate
CID 19847766
4-[(3S)-3-[(2S)-2-phenylaziridin-1-yl]butyl]benzamide
CID 54436062
4-[3-[[(2R)-2-hydroxy-2-phenylethyl]amino]butyl]-N,N-dimethylbenzamide
CID 70429456
4-[4-[ethyl(2-phenylethyl)amino]oxan-2-yl]-N,N-dimethylbenzamide
CID 172640803
4-[[(2-amino-3-phenylpropanoyl)amino]methyl]-N,N-dimethylbenzamide
CID 119277683
N,N-dimethyl-4-[(3-phenylbutanoylamino)methyl]benzamide
CID 134039082
(2S,6S)-N-[5-(dimethylcarbamoyl)-2-methylphenyl]-2-methyl-6-phenylmorpholine-4-carboxamide
CID 95193687
N,N-dimethyl-4-[3-oxo-3-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methylamino]propyl]benzamide
CID 110311010
methyl 6-[(2S)-2-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)propyl]-2,3-dihydro-1,4-benzodioxine-2-carboxylate
CID 70107118
4-benzoyl-N,N-dimethylbenzamide
CID 12779824
N,N-dimethyl-4-[3-(3-methylbutylamino)-3-oxopropyl]benzamide
CID 110300026

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-[(2S)-4-[4-(dimethylcarbamoyl)phenyl]butan-2-yl]-5-phenyl-1,3-oxazolidine-2-carboxylate?
The IUPAC name of methyl (2R)-3-[(2S)-4-[4-(dimethylcarbamoyl)phenyl]butan-2-yl]-5-phenyl-1,3-oxazolidine-2-carboxylate (CID 70392778) is methyl (2R)-3-[(2S)-4-[4-(dimethylcarbamoyl)phenyl]butan-2-yl]-5-phenyl-1,3-oxazolidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-3-[(2S)-4-[4-(dimethylcarbamoyl)phenyl]butan-2-yl]-5-phenyl-1,3-oxazolidine-2-carboxylate?
The canonical SMILES for methyl (2R)-3-[(2S)-4-[4-(dimethylcarbamoyl)phenyl]butan-2-yl]-5-phenyl-1,3-oxazolidine-2-carboxylate is COC(=O)[C@H]1OC(c2ccccc2)CN1[C@@H](C)CCc1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of methyl (2R)-3-[(2S)-4-[4-(dimethylcarbamoyl)phenyl]butan-2-yl]-5-phenyl-1,3-oxazolidine-2-carboxylate?
The InChIKey is ZTLPWWSENRGAIW-DRNTULDOSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-17(10-11-18-12-14-20(15-13-18)22(27)25(2)3)26-16-21(19-8-6-5-7-9-19)30-23(26)24(28)29-4/h5-9,12-15,17,21,23H,10-11,16H2,1-4H3/t17-,21?,23+/m0/s1.
What are the key properties of methyl (2R)-3-[(2S)-4-[4-(dimethylcarbamoyl)phenyl]butan-2-yl]-5-phenyl-1,3-oxazolidine-2-carboxylate?
methyl (2R)-3-[(2S)-4-[4-(dimethylcarbamoyl)phenyl]butan-2-yl]-5-phenyl-1,3-oxazolidine-2-carboxylate has a molecular weight of 410.51 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-[(2S)-4-[4-(dimethylcarbamoyl)phenyl]butan-2-yl]-5-phenyl-1,3-oxazolidine-2-carboxylate is sourced from PubChem (CID 70392778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).