2-(3-methylphenyl)-N-[[1-[2-(3-oxocyclopentyl)acetyl]pyrrolidin-3-yl]methyl]acetamide

C21H28N2O3 — CID 154876201

IUPAC2-(3-methylphenyl)-N-[[1-[2-(3-oxocyclopentyl)acetyl]pyrrolidin-3-yl]methyl]acetamide
SMILESCc1cccc(CC(=O)NCC2CCN(C(=O)CC3CCC(=O)C3)C2)c1
InChIInChI=1S/C21H28N2O3/c1-15-3-2-4-16(9-15)11-20(25)22-13-18-7-8-23(14-18)21(26)12-17-5-6-19(24)10-17/h2-4,9,17-18H,5-8,10-14H2,1H3,(H,22,25)
InChIKeyIIRYMWXJAKFUEL-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.26
Rot. Bonds6

About 2-(3-methylphenyl)-N-[[1-[2-(3-oxocyclopentyl)acetyl]pyrrolidin-3-yl]methyl]acetamide

2-(3-methylphenyl)-N-[[1-[2-(3-oxocyclopentyl)acetyl]pyrrolidin-3-yl]methyl]acetamide (PubChem CID 154876201) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-[[1-[2-(3-oxocyclopentyl)acetyl]pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-[[1-[2-(3-oxocyclopentyl)acetyl]pyrrolidin-3-yl]methyl]acetamide
PubChem CID154876201
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name2-(3-methylphenyl)-N-[[1-[2-(3-oxocyclopentyl)acetyl]pyrrolidin-3-yl]methyl]acetamide
SMILESCc1cccc(CC(=O)NCC2CCN(C(=O)CC3CCC(=O)C3)C2)c1
InChIInChI=1S/C21H28N2O3/c1-15-3-2-4-16(9-15)11-20(25)22-13-18-7-8-23(14-18)21(26)12-17-5-6-19(24)10-17/h2-4,9,17-18H,5-8,10-14H2,1H3,(H,22,25)
InChIKeyIIRYMWXJAKFUEL-UHFFFAOYSA-N
XLogP2.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 63263153
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone;hydrochloride
CID 91659501
2-(3-methylphenyl)-N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 40897451
tert-butyl (3R)-3-[[(3-methylbenzoyl)amino]methyl]pyrrolidine-1-carboxylate
CID 99854116
2-(3-methylphenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 86263544
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 66291636
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(3-methylphenyl)acetamide
CID 40895927
2-(3-hydroxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 61400257
N-[[(3S)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1-methylpyrrol-3-yl)acetamide
CID 95204337
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone
CID 119541380
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 80677729
N-methyl-2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]sulfonylacetamide
CID 90592518

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-[[1-[2-(3-oxocyclopentyl)acetyl]pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-[[1-[2-(3-oxocyclopentyl)acetyl]pyrrolidin-3-yl]methyl]acetamide (CID 154876201) is 2-(3-methylphenyl)-N-[[1-[2-(3-oxocyclopentyl)acetyl]pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-[[1-[2-(3-oxocyclopentyl)acetyl]pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-[[1-[2-(3-oxocyclopentyl)acetyl]pyrrolidin-3-yl]methyl]acetamide is Cc1cccc(CC(=O)NCC2CCN(C(=O)CC3CCC(=O)C3)C2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-[[1-[2-(3-oxocyclopentyl)acetyl]pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is IIRYMWXJAKFUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-15-3-2-4-16(9-15)11-20(25)22-13-18-7-8-23(14-18)21(26)12-17-5-6-19(24)10-17/h2-4,9,17-18H,5-8,10-14H2,1H3,(H,22,25).
What are the key properties of 2-(3-methylphenyl)-N-[[1-[2-(3-oxocyclopentyl)acetyl]pyrrolidin-3-yl]methyl]acetamide?
2-(3-methylphenyl)-N-[[1-[2-(3-oxocyclopentyl)acetyl]pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 356.47 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-[[1-[2-(3-oxocyclopentyl)acetyl]pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 154876201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).