2-pyrrolidin-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide;hydrochloride

C16H25ClN2O4 — CID 119733881

IUPAC2-pyrrolidin-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide;hydrochloride
SMILESCOc1cc(OC)c(CNC(=O)CC2CCCN2)c(OC)c1.Cl
InChIInChI=1S/C16H24N2O4.ClH/c1-20-12-8-14(21-2)13(15(9-12)22-3)10-18-16(19)7-11-5-4-6-17-11;/h8-9,11,17H,4-7,10H2,1-3H3,(H,18,19);1H
InChIKeyILRDJJDZPSIXEW-UHFFFAOYSA-N
MW344.84 g/mol
LogP1.89
Rot. Bonds7

About 2-pyrrolidin-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide;hydrochloride

2-pyrrolidin-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide;hydrochloride (PubChem CID 119733881) has the molecular formula C16H25ClN2O4 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide;hydrochloride
PubChem CID119733881
Molecular FormulaC16H25ClN2O4
Molecular Weight344.84 g/mol
Exact Mass344.15
IUPAC Name2-pyrrolidin-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide;hydrochloride
SMILESCOc1cc(OC)c(CNC(=O)CC2CCCN2)c(OC)c1.Cl
InChIInChI=1S/C16H24N2O4.ClH/c1-20-12-8-14(21-2)13(15(9-12)22-3)10-18-16(19)7-11-5-4-6-17-11;/h8-9,11,17H,4-7,10H2,1-3H3,(H,18,19);1H
InChIKeyILRDJJDZPSIXEW-UHFFFAOYSA-N
XLogP1.89
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxynaphthalen-1-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119709381
N-[(2,3-dimethoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119708902
N-[2-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371395
N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119787567
N-[(2-methoxy-4-pyridinyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 62997538
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119899384
3-amino-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119295082
N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119709536
N-[[2-(methoxymethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 61363866
N-(2-acetamido-5-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119711100
N-(4-acetamido-3-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119713243
2-[(2-chloro-4,6-dimethoxyphenyl)methyl]pyrrolidine
CID 117392683

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-pyrrolidin-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide;hydrochloride (CID 119733881) is 2-pyrrolidin-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-pyrrolidin-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-pyrrolidin-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide;hydrochloride is COc1cc(OC)c(CNC(=O)CC2CCCN2)c(OC)c1.Cl.
What is the InChIKey of 2-pyrrolidin-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide;hydrochloride?
The InChIKey is ILRDJJDZPSIXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4.ClH/c1-20-12-8-14(21-2)13(15(9-12)22-3)10-18-16(19)7-11-5-4-6-17-11;/h8-9,11,17H,4-7,10H2,1-3H3,(H,18,19);1H.
What are the key properties of 2-pyrrolidin-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide;hydrochloride?
2-pyrrolidin-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide;hydrochloride has a molecular weight of 344.84 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 119733881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).