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

C20H22N2O3 — CID 16919390

IUPACbenzyl N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]carbamate
SMILESO=C(NCC1CC(=O)N(Cc2ccccc2)C1)OCc1ccccc1
InChIInChI=1S/C20H22N2O3/c23-19-11-18(14-22(19)13-16-7-3-1-4-8-16)12-21-20(24)25-15-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,21,24)
InChIKeyWHFMURULGQUSLX-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.96
Rot. Bonds6

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

benzyl N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]carbamate (PubChem CID 16919390) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is benzyl N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]carbamate
PubChem CID16919390
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Namebenzyl N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]carbamate
SMILESO=C(NCC1CC(=O)N(Cc2ccccc2)C1)OCc1ccccc1
InChIInChI=1S/C20H22N2O3/c23-19-11-18(14-22(19)13-16-7-3-1-4-8-16)12-21-20(24)25-15-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,21,24)
InChIKeyWHFMURULGQUSLX-UHFFFAOYSA-N
XLogP2.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 16919346
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide
CID 16919256
N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 40898464
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 40898459
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
3-[(1-benzyl-5-oxopyrrolidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 139022011
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-propylpentanamide
CID 16919255
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide
CID 16919275
N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,4-dihydroxybenzamide
CID 124614944
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide
CID 40898594
1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-chlorophenyl)urea
CID 3025488
benzyl N-[(4-aminocyclohexyl)methyl]carbamate
CID 59845659

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]carbamate?
The IUPAC name of benzyl N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]carbamate (CID 16919390) is benzyl N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]carbamate?
The canonical SMILES for benzyl N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]carbamate is O=C(NCC1CC(=O)N(Cc2ccccc2)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]carbamate?
The InChIKey is WHFMURULGQUSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-19-11-18(14-22(19)13-16-7-3-1-4-8-16)12-21-20(24)25-15-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,21,24).
What are the key properties of benzyl N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]carbamate?
benzyl N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]carbamate has a molecular weight of 338.41 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]carbamate is sourced from PubChem (CID 16919390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).