benzyl N-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]carbamate

C20H22N2O4 — CID 154897684

IUPACbenzyl N-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]carbamate
SMILESCOc1ccc(CN2CC(NC(=O)OCc3ccccc3)CC2=O)cc1
InChIInChI=1S/C20H22N2O4/c1-25-18-9-7-15(8-10-18)12-22-13-17(11-19(22)23)21-20(24)26-14-16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3,(H,21,24)
InChIKeyVJTDBXRWYROVDT-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.72
Rot. Bonds6

About benzyl N-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]carbamate

benzyl N-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]carbamate (PubChem CID 154897684) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is benzyl N-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]carbamate
PubChem CID154897684
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Namebenzyl N-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]carbamate
SMILESCOc1ccc(CN2CC(NC(=O)OCc3ccccc3)CC2=O)cc1
InChIInChI=1S/C20H22N2O4/c1-25-18-9-7-15(8-10-18)12-22-13-17(11-19(22)23)21-20(24)26-14-16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3,(H,21,24)
InChIKeyVJTDBXRWYROVDT-UHFFFAOYSA-N
XLogP2.72
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 42394735
benzyl N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamate
CID 110736817
methyl 2-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]benzoate
CID 108876461
N-benzyl-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109695
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-tert-butylurea
CID 108876426
benzyl N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]carbamate
CID 124505476
(4-methoxyphenyl)methyl 1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 24818198
benzyl N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]carbamate
CID 16919390
1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea
CID 95598501
(3R)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 35672749
1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 18074627
N-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetamide
CID 108876378

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]carbamate?
The IUPAC name of benzyl N-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]carbamate (CID 154897684) is benzyl N-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]carbamate is COc1ccc(CN2CC(NC(=O)OCc3ccccc3)CC2=O)cc1.
What is the InChIKey of benzyl N-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]carbamate?
The InChIKey is VJTDBXRWYROVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-25-18-9-7-15(8-10-18)12-22-13-17(11-19(22)23)21-20(24)26-14-16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3,(H,21,24).
What are the key properties of benzyl N-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]carbamate?
benzyl N-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]carbamate has a molecular weight of 354.41 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]carbamate is sourced from PubChem (CID 154897684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).