2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetamide

C14H20N2O2 — CID 47280768

IUPAC2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetamide
SMILESCOc1ccc(CC2CCCN2CC(N)=O)cc1
InChIInChI=1S/C14H20N2O2/c1-18-13-6-4-11(5-7-13)9-12-3-2-8-16(12)10-14(15)17/h4-7,12H,2-3,8-10H2,1H3,(H2,15,17)
InChIKeyGHMKIEOZCJVWDP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.19
Rot. Bonds5

About 2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetamide

2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetamide (PubChem CID 47280768) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetamide
PubChem CID47280768
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetamide
SMILESCOc1ccc(CC2CCCN2CC(N)=O)cc1
InChIInChI=1S/C14H20N2O2/c1-18-13-6-4-11(5-7-13)9-12-3-2-8-16(12)10-14(15)17/h4-7,12H,2-3,8-10H2,1H3,(H2,15,17)
InChIKeyGHMKIEOZCJVWDP-UHFFFAOYSA-N
XLogP1.19
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 47054026
2-[(2R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]pyrrolidin-2-yl]acetamide
CID 97261053
(2S,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxamide
CID 102386977
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 78942403
1,3-bis[2-[(4-methoxyphenyl)methyl]azetidin-1-yl]propan-2-ol
CID 167749267
2-[(2S)-2-[6-(4-methoxyphenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 95843435
2-[(4-methoxyphenyl)methyl]-1-methylazepane
CID 70599140
2-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]acetic acid
CID 154860928
2-[2-(2-aminoethyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 63759527
(2R)-2-[(4-methoxyphenyl)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
CID 94031776
1-[2-[(2S)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione
CID 97212457
[(2R)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 94620742

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetamide (CID 47280768) is 2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetamide is COc1ccc(CC2CCCN2CC(N)=O)cc1.
What is the InChIKey of 2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetamide?
The InChIKey is GHMKIEOZCJVWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-13-6-4-11(5-7-13)9-12-3-2-8-16(12)10-14(15)17/h4-7,12H,2-3,8-10H2,1H3,(H2,15,17).
What are the key properties of 2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetamide?
2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 47280768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).