N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-2-methylbenzamide

C21H24N2O2 — CID 51338008

IUPACN-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(=O)N1CCCC1Cc1ccccc1
InChIInChI=1S/C21H24N2O2/c1-16-8-5-6-12-19(16)21(25)22-15-20(24)23-13-7-11-18(23)14-17-9-3-2-4-10-17/h2-6,8-10,12,18H,7,11,13-15H2,1H3,(H,22,25)
InChIKeyQFAJKTAOMNZDON-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.96
Rot. Bonds5

About N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-2-methylbenzamide

N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-2-methylbenzamide (PubChem CID 51338008) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-2-methylbenzamide
PubChem CID51338008
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(=O)N1CCCC1Cc1ccccc1
InChIInChI=1S/C21H24N2O2/c1-16-8-5-6-12-19(16)21(25)22-15-20(24)23-13-7-11-18(23)14-17-9-3-2-4-10-17/h2-6,8-10,12,18H,7,11,13-15H2,1H3,(H,22,25)
InChIKeyQFAJKTAOMNZDON-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-4-bromobenzamide
CID 112809261
N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-3-fluorobenzamide
CID 78839778
2-acetamido-N-[2-[(2R)-2-benzylpiperidin-1-yl]-2-oxoethyl]acetamide
CID 95286390
2-anilino-1-(2-benzylpyrrolidin-1-yl)ethanone;hydrochloride
CID 119701682
2-chloro-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 61411188
N-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 99609425
N-[2-oxo-2-[2-(2-phenylethyl)pyrrolidin-1-yl]ethyl]benzamide
CID 47066258
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 119631388
2-(methylamino)-1-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethanone
CID 124509626
N-[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-phenylbenzamide
CID 55956031
N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylbenzamide
CID 51318560
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-iodobenzamide
CID 112768344

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-2-methylbenzamide (CID 51338008) is N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCC(=O)N1CCCC1Cc1ccccc1.
What is the InChIKey of N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-2-methylbenzamide?
The InChIKey is QFAJKTAOMNZDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-16-8-5-6-12-19(16)21(25)22-15-20(24)23-13-7-11-18(23)14-17-9-3-2-4-10-17/h2-6,8-10,12,18H,7,11,13-15H2,1H3,(H,22,25).
What are the key properties of N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-2-methylbenzamide?
N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-2-methylbenzamide has a molecular weight of 336.44 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 51338008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).