tert-butyl 2-[[2-methoxy-2-(4-methylphenyl)ethyl]carbamoyl]pyrrolidine-1-carboxylate

C20H30N2O4 — CID 142633745

IUPACtert-butyl 2-[[2-methoxy-2-(4-methylphenyl)ethyl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCOC(CNC(=O)C1CCCN1C(=O)OC(C)(C)C)c1ccc(C)cc1
InChIInChI=1S/C20H30N2O4/c1-14-8-10-15(11-9-14)17(25-5)13-21-18(23)16-7-6-12-22(16)19(24)26-20(2,3)4/h8-11,16-17H,6-7,12-13H2,1-5H3,(H,21,23)
InChIKeyPRPKICBZGSOZOC-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.20
Rot. Bonds5

About tert-butyl 2-[[2-methoxy-2-(4-methylphenyl)ethyl]carbamoyl]pyrrolidine-1-carboxylate

tert-butyl 2-[[2-methoxy-2-(4-methylphenyl)ethyl]carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 142633745) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is tert-butyl 2-[[2-methoxy-2-(4-methylphenyl)ethyl]carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[2-methoxy-2-(4-methylphenyl)ethyl]carbamoyl]pyrrolidine-1-carboxylate
PubChem CID142633745
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Nametert-butyl 2-[[2-methoxy-2-(4-methylphenyl)ethyl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCOC(CNC(=O)C1CCCN1C(=O)OC(C)(C)C)c1ccc(C)cc1
InChIInChI=1S/C20H30N2O4/c1-14-8-10-15(11-9-14)17(25-5)13-21-18(23)16-7-6-12-22(16)19(24)26-20(2,3)4/h8-11,16-17H,6-7,12-13H2,1-5H3,(H,21,23)
InChIKeyPRPKICBZGSOZOC-UHFFFAOYSA-N
XLogP3.20
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 110620641
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CID 110607489
tert-butyl (2S)-2-[[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 99783192
tert-butyl (2R)-2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate
CID 70050480
tert-butyl 2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate
CID 57153522
tert-butyl (2R)-2-[(4-methoxycarbonylphenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 98990393
tert-butyl 2-[[1-methoxy-3-(4-methylphenyl)sulfonyloxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 88832945
tert-butyl (2S)-2-[2-(methylamino)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 102225547
tert-butyl (2S)-2-[[(1S)-1-(4-chlorophenyl)ethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 51968674
tert-butyl 2-[(3,4-dimethoxyphenyl)methylcarbamoyl]pyrrolidine-1-carboxylate
CID 4826015
tert-butyl (2S)-2-(4-aminobutylcarbamoyl)pyrrolidine-1-carboxylate
CID 102225545
tert-butyl 2-[2-[(2-methoxy-2-oxoethyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 142730493

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[2-methoxy-2-(4-methylphenyl)ethyl]carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[2-methoxy-2-(4-methylphenyl)ethyl]carbamoyl]pyrrolidine-1-carboxylate (CID 142633745) is tert-butyl 2-[[2-methoxy-2-(4-methylphenyl)ethyl]carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[2-methoxy-2-(4-methylphenyl)ethyl]carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[2-methoxy-2-(4-methylphenyl)ethyl]carbamoyl]pyrrolidine-1-carboxylate is COC(CNC(=O)C1CCCN1C(=O)OC(C)(C)C)c1ccc(C)cc1.
What is the InChIKey of tert-butyl 2-[[2-methoxy-2-(4-methylphenyl)ethyl]carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is PRPKICBZGSOZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-14-8-10-15(11-9-14)17(25-5)13-21-18(23)16-7-6-12-22(16)19(24)26-20(2,3)4/h8-11,16-17H,6-7,12-13H2,1-5H3,(H,21,23).
What are the key properties of tert-butyl 2-[[2-methoxy-2-(4-methylphenyl)ethyl]carbamoyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[[2-methoxy-2-(4-methylphenyl)ethyl]carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[2-methoxy-2-(4-methylphenyl)ethyl]carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 142633745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).