N-[(2-methylphenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

C16H22N2O2 — CID 113161360

IUPACN-[(2-methylphenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESCC(=O)N(CC(=O)N1CCCC1)Cc1ccccc1C
InChIInChI=1S/C16H22N2O2/c1-13-7-3-4-8-15(13)11-18(14(2)19)12-16(20)17-9-5-6-10-17/h3-4,7-8H,5-6,9-12H2,1-2H3
InChIKeyVUHMOJUTPMEQNQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.97
Rot. Bonds4

About N-[(2-methylphenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

N-[(2-methylphenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 113161360) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
PubChem CID113161360
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(2-methylphenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESCC(=O)N(CC(=O)N1CCCC1)Cc1ccccc1C
InChIInChI=1S/C16H22N2O2/c1-13-7-3-4-8-15(13)11-18(14(2)19)12-16(20)17-9-5-6-10-17/h3-4,7-8H,5-6,9-12H2,1-2H3
InChIKeyVUHMOJUTPMEQNQ-UHFFFAOYSA-N
XLogP1.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[(2-methylphenyl)methyl]acetamide
CID 113161375
N-[(2-methylphenyl)methyl]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113161416
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 113162197
N-[(2-fluorophenyl)methyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113162185
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-butan-2-ylacetamide
CID 113161359
N-[(2-methoxyphenyl)methyl]-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113162924
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)acetamide
CID 113169098
2-[methyl-[(2-methylphenyl)methyl]amino]-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 55410001
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113161458
N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide
CID 113167153
1-acetyl-N-ethyl-3-hydroxy-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 154739173
2-[(2-fluorophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 47006721

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (CID 113161360) is N-[(2-methylphenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is CC(=O)N(CC(=O)N1CCCC1)Cc1ccccc1C.
What is the InChIKey of N-[(2-methylphenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is VUHMOJUTPMEQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-13-7-3-4-8-15(13)11-18(14(2)19)12-16(20)17-9-5-6-10-17/h3-4,7-8H,5-6,9-12H2,1-2H3.
What are the key properties of N-[(2-methylphenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
N-[(2-methylphenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 274.36 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 113161360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).