benzyl 2-[(4-methoxyphenyl)carbamoyl]-5-oxopyrrolidine-1-carboxylate

C20H20N2O5 — CID 3902083

IUPACbenzyl 2-[(4-methoxyphenyl)carbamoyl]-5-oxopyrrolidine-1-carboxylate
SMILESCOc1ccc(NC(=O)C2CCC(=O)N2C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C20H20N2O5/c1-26-16-9-7-15(8-10-16)21-19(24)17-11-12-18(23)22(17)20(25)27-13-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3,(H,21,24)
InChIKeyQBNNRNKLBJEHRD-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.96
Rot. Bonds5

About benzyl 2-[(4-methoxyphenyl)carbamoyl]-5-oxopyrrolidine-1-carboxylate

benzyl 2-[(4-methoxyphenyl)carbamoyl]-5-oxopyrrolidine-1-carboxylate (PubChem CID 3902083) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is benzyl 2-[(4-methoxyphenyl)carbamoyl]-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[(4-methoxyphenyl)carbamoyl]-5-oxopyrrolidine-1-carboxylate
PubChem CID3902083
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Namebenzyl 2-[(4-methoxyphenyl)carbamoyl]-5-oxopyrrolidine-1-carboxylate
SMILESCOc1ccc(NC(=O)C2CCC(=O)N2C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C20H20N2O5/c1-26-16-9-7-15(8-10-16)21-19(24)17-11-12-18(23)22(17)20(25)27-13-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3,(H,21,24)
InChIKeyQBNNRNKLBJEHRD-UHFFFAOYSA-N
XLogP2.96
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(4-methoxyphenyl)carbamoyl]-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-[(4-methoxyphenyl)carbamoyl]-5-oxopyrrolidine-1-carboxylate (CID 3902083) is benzyl 2-[(4-methoxyphenyl)carbamoyl]-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-[(4-methoxyphenyl)carbamoyl]-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-[(4-methoxyphenyl)carbamoyl]-5-oxopyrrolidine-1-carboxylate is COc1ccc(NC(=O)C2CCC(=O)N2C(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl 2-[(4-methoxyphenyl)carbamoyl]-5-oxopyrrolidine-1-carboxylate?
The InChIKey is QBNNRNKLBJEHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-26-16-9-7-15(8-10-16)21-19(24)17-11-12-18(23)22(17)20(25)27-13-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3,(H,21,24).
What are the key properties of benzyl 2-[(4-methoxyphenyl)carbamoyl]-5-oxopyrrolidine-1-carboxylate?
benzyl 2-[(4-methoxyphenyl)carbamoyl]-5-oxopyrrolidine-1-carboxylate has a molecular weight of 368.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(4-methoxyphenyl)carbamoyl]-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 3902083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).