N-[(3-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide

C14H18N2O3 — CID 47111335

IUPACN-[(3-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCOc1cccc(CNC(=O)CN2CCCC2=O)c1
InChIInChI=1S/C14H18N2O3/c1-19-12-5-2-4-11(8-12)9-15-13(17)10-16-7-3-6-14(16)18/h2,4-5,8H,3,6-7,9-10H2,1H3,(H,15,17)
InChIKeySRZCVWXHJLYXIB-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.93
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[(3-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 47111335) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID47111335
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCOc1cccc(CNC(=O)CN2CCCC2=O)c1
InChIInChI=1S/C14H18N2O3/c1-19-12-5-2-4-11(8-12)9-15-13(17)10-16-7-3-6-14(16)18/h2,4-5,8H,3,6-7,9-10H2,1H3,(H,15,17)
InChIKeySRZCVWXHJLYXIB-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-oxopyrrolidin-1-yl)-N-[(3-phenylmethoxyphenyl)methyl]acetamide
CID 129367971
N-[(3-methylphenyl)methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 33281524
2-(3-methoxyphenyl)-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 110722800
N-[(4-methylphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9325430
2-(4-fluoropiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 171701324
N-[(3-methoxyphenyl)methyl]-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 119922266
N-[2-(7-methoxynaphthalen-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 19021896
N-[(3-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 47292082
2,4-dimethoxy-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 86981629
1-ethyl-3-[(3-methoxyphenyl)methyl]-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111250240
2-(4-aminopiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119907160
2-(2-oxopiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 78863989

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 47111335) is N-[(3-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide is COc1cccc(CNC(=O)CN2CCCC2=O)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is SRZCVWXHJLYXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-19-12-5-2-4-11(8-12)9-15-13(17)10-16-7-3-6-14(16)18/h2,4-5,8H,3,6-7,9-10H2,1H3,(H,15,17).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[(3-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 262.31 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 47111335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).