tert-butyl N-[4-[5-oxo-2-(1-phenylethyl)-1,2-oxazolidin-4-yl]butyl]carbamate

C20H30N2O4 — CID 73089169

IUPACtert-butyl N-[4-[5-oxo-2-(1-phenylethyl)-1,2-oxazolidin-4-yl]butyl]carbamate
SMILESCC(c1ccccc1)N1CC(CCCCNC(=O)OC(C)(C)C)C(=O)O1
InChIInChI=1S/C20H30N2O4/c1-15(16-10-6-5-7-11-16)22-14-17(18(23)26-22)12-8-9-13-21-19(24)25-20(2,3)4/h5-7,10-11,15,17H,8-9,12-14H2,1-4H3,(H,21,24)
InChIKeyCIQDMMUYRLMXJT-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.83
Rot. Bonds7

About tert-butyl N-[4-[5-oxo-2-(1-phenylethyl)-1,2-oxazolidin-4-yl]butyl]carbamate

tert-butyl N-[4-[5-oxo-2-(1-phenylethyl)-1,2-oxazolidin-4-yl]butyl]carbamate (PubChem CID 73089169) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is tert-butyl N-[4-[5-oxo-2-(1-phenylethyl)-1,2-oxazolidin-4-yl]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[5-oxo-2-(1-phenylethyl)-1,2-oxazolidin-4-yl]butyl]carbamate
PubChem CID73089169
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Nametert-butyl N-[4-[5-oxo-2-(1-phenylethyl)-1,2-oxazolidin-4-yl]butyl]carbamate
SMILESCC(c1ccccc1)N1CC(CCCCNC(=O)OC(C)(C)C)C(=O)O1
InChIInChI=1S/C20H30N2O4/c1-15(16-10-6-5-7-11-16)22-14-17(18(23)26-22)12-8-9-13-21-19(24)25-20(2,3)4/h5-7,10-11,15,17H,8-9,12-14H2,1-4H3,(H,21,24)
InChIKeyCIQDMMUYRLMXJT-UHFFFAOYSA-N
XLogP3.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Propan-2-yl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 6636318
tert-butyl (S)-(1-benzyl-2-((2,5-dioxo-1-pyrrolidinyl)oxy)-2-oxoethyl)carbamate
CID 107447
3-{[(Tert-butoxy)carbonyl]amino}-3-phenylpropanoic acid
CID 2756815
(3R)-3-{[(tert-butoxy)carbonyl]amino}-3-phenylpropanoic acid
CID 7009108
3-[(Tert-butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 2734583
(3S)-3-{[(tert-butoxy)carbonyl]amino}-3-phenylpropanoic acid
CID 2734490
tert-butyl(S)-1,2-dioxo-1-((R)-1-phenylethylamino)heptan-3-ylcarbamate
CID 44375815
tert-butyl(S)-1,2-dioxo-1-((S)-1-phenylethylamino)heptan-3-ylcarbamate
CID 44375947
(betaR)-beta-(((1,1-Dimethylethoxy)carbonyl)amino)-4-fluorobenzenepropanoic acid
CID 2761716
(3R)-3-(((tert-butoxy)carbonyl)amino)-3-(4-methylphenyl)propanoic acid
CID 2761754
beta-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-fluorobenzenepropanoic acid
CID 2783065
(3S)-3-(((tert-butoxy)carbonyl)amino)-3-(4-methylphenyl)propanoic acid
CID 7010261

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[5-oxo-2-(1-phenylethyl)-1,2-oxazolidin-4-yl]butyl]carbamate?
The IUPAC name of tert-butyl N-[4-[5-oxo-2-(1-phenylethyl)-1,2-oxazolidin-4-yl]butyl]carbamate (CID 73089169) is tert-butyl N-[4-[5-oxo-2-(1-phenylethyl)-1,2-oxazolidin-4-yl]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[5-oxo-2-(1-phenylethyl)-1,2-oxazolidin-4-yl]butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[5-oxo-2-(1-phenylethyl)-1,2-oxazolidin-4-yl]butyl]carbamate is CC(c1ccccc1)N1CC(CCCCNC(=O)OC(C)(C)C)C(=O)O1.
What is the InChIKey of tert-butyl N-[4-[5-oxo-2-(1-phenylethyl)-1,2-oxazolidin-4-yl]butyl]carbamate?
The InChIKey is CIQDMMUYRLMXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-15(16-10-6-5-7-11-16)22-14-17(18(23)26-22)12-8-9-13-21-19(24)25-20(2,3)4/h5-7,10-11,15,17H,8-9,12-14H2,1-4H3,(H,21,24).
What are the key properties of tert-butyl N-[4-[5-oxo-2-(1-phenylethyl)-1,2-oxazolidin-4-yl]butyl]carbamate?
tert-butyl N-[4-[5-oxo-2-(1-phenylethyl)-1,2-oxazolidin-4-yl]butyl]carbamate has a molecular weight of 362.47 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[5-oxo-2-(1-phenylethyl)-1,2-oxazolidin-4-yl]butyl]carbamate is sourced from PubChem (CID 73089169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).