2-methylpropyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate

C18H26N2O4 — CID 4317281

IUPAC2-methylpropyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCOc1ccc(C)cc1NC(=O)C1CCCN1C(=O)OCC(C)C
InChIInChI=1S/C18H26N2O4/c1-12(2)11-24-18(22)20-9-5-6-15(20)17(21)19-14-10-13(3)7-8-16(14)23-4/h7-8,10,12,15H,5-6,9,11H2,1-4H3,(H,19,21)
InChIKeyZFYRCTXYBGURQE-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.20
Rot. Bonds5

About 2-methylpropyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate

2-methylpropyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 4317281) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-methylpropyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID4317281
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name2-methylpropyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCOc1ccc(C)cc1NC(=O)C1CCCN1C(=O)OCC(C)C
InChIInChI=1S/C18H26N2O4/c1-12(2)11-24-18(22)20-9-5-6-15(20)17(21)19-14-10-13(3)7-8-16(14)23-4/h7-8,10,12,15H,5-6,9,11H2,1-4H3,(H,19,21)
InChIKeyZFYRCTXYBGURQE-UHFFFAOYSA-N
XLogP3.20
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 41373974
1-(2-aminopentanoyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 119327963
1-[2-(4-aminophenyl)acetyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 119791298
N-(2-methoxy-5-methylphenyl)-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxamide
CID 119327957
2-methylpropyl (2S)-2-[(2-fluorophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 126009168
2-N-(2-methoxy-5-methylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 43814288
N-(2-methoxy-5-methylphenyl)-1-(5-methyl-2H-triazole-4-carbonyl)pyrrolidine-2-carboxamide
CID 126791949
1-[2-(2-methoxyethylamino)acetyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 119791330
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 119791314
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119791313
2-methylpropyl 2-[(3-bromo-4-chlorophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 5188630
N-(2-methoxy-5-methylphenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 119931825

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate (CID 4317281) is 2-methylpropyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate is COc1ccc(C)cc1NC(=O)C1CCCN1C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is ZFYRCTXYBGURQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-12(2)11-24-18(22)20-9-5-6-15(20)17(21)19-14-10-13(3)7-8-16(14)23-4/h7-8,10,12,15H,5-6,9,11H2,1-4H3,(H,19,21).
What are the key properties of 2-methylpropyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
2-methylpropyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 334.42 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 2-methylpropyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 4317281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).