N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-propan-2-yloxybenzamide

C22H26N2O3 — CID 16919284

IUPACN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCC2CC(=O)N(Cc3ccccc3)C2)cc1
InChIInChI=1S/C22H26N2O3/c1-16(2)27-20-10-8-19(9-11-20)22(26)23-13-18-12-21(25)24(15-18)14-17-6-4-3-5-7-17/h3-11,16,18H,12-15H2,1-2H3,(H,23,26)
InChIKeyZRAGGNDCVNTKHR-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.25
Rot. Bonds7

About N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-propan-2-yloxybenzamide

N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-propan-2-yloxybenzamide (PubChem CID 16919284) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-propan-2-yloxybenzamide
PubChem CID16919284
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCC2CC(=O)N(Cc3ccccc3)C2)cc1
InChIInChI=1S/C22H26N2O3/c1-16(2)27-20-10-8-19(9-11-20)22(26)23-13-18-12-21(25)24(15-18)14-17-6-4-3-5-7-17/h3-11,16,18H,12-15H2,1-2H3,(H,23,26)
InChIKeyZRAGGNDCVNTKHR-UHFFFAOYSA-N
XLogP3.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide
CID 40898594
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide
CID 16919275
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16919321
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(dimethylsulfamoyl)benzamide
CID 16919361
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 16919346
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-propylpentanamide
CID 16919255
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2,4-dimethoxybenzamide
CID 16919286
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 110640106
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-ethylsulfanylbenzamide
CID 16919382
benzyl N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]carbamate
CID 16919390
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide
CID 16919256
[5-oxo-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanesulfonyl chloride
CID 168672695

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-propan-2-yloxybenzamide (CID 16919284) is N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NCC2CC(=O)N(Cc3ccccc3)C2)cc1.
What is the InChIKey of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-propan-2-yloxybenzamide?
The InChIKey is ZRAGGNDCVNTKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16(2)27-20-10-8-19(9-11-20)22(26)23-13-18-12-21(25)24(15-18)14-17-6-4-3-5-7-17/h3-11,16,18H,12-15H2,1-2H3,(H,23,26).
What are the key properties of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-propan-2-yloxybenzamide?
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-propan-2-yloxybenzamide has a molecular weight of 366.46 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 16919284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).