N-(3-methoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride

C15H24ClN3O2 — CID 119921880

IUPACN-(3-methoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
SMILESCNCC1CCN(CC(=O)Nc2cccc(OC)c2)C1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-16-9-12-6-7-18(10-12)11-15(19)17-13-4-3-5-14(8-13)20-2;/h3-5,8,12,16H,6-7,9-11H2,1-2H3,(H,17,19);1H
InChIKeyYZRRXLCVXCRRKE-UHFFFAOYSA-N
MW313.83 g/mol
LogP1.60
Rot. Bonds6

About N-(3-methoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride

N-(3-methoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride (PubChem CID 119921880) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
PubChem CID119921880
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC NameN-(3-methoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
SMILESCNCC1CCN(CC(=O)Nc2cccc(OC)c2)C1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-16-9-12-6-7-18(10-12)11-15(19)17-13-4-3-5-14(8-13)20-2;/h3-5,8,12,16H,6-7,9-11H2,1-2H3,(H,17,19);1H
InChIKeyYZRRXLCVXCRRKE-UHFFFAOYSA-N
XLogP1.60
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119921834
2-[3-(aminomethyl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide;hydrochloride
CID 119915580
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 60642548
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 63248780
N-(3-methoxyphenyl)-2-[3-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 114499122
N-(4-ethoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119921935
N-[(3-methoxyphenyl)methyl]-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 119922266
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
CID 2958479
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
N-(4-bromophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 55169623
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(3-methoxyphenyl)acetamide
CID 55864033
N-(2-methoxyphenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922615

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(3-methoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride (CID 119921880) is N-(3-methoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(3-methoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride is CNCC1CCN(CC(=O)Nc2cccc(OC)c2)C1.Cl.
What is the InChIKey of N-(3-methoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride?
The InChIKey is YZRRXLCVXCRRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.ClH/c1-16-9-12-6-7-18(10-12)11-15(19)17-13-4-3-5-14(8-13)20-2;/h3-5,8,12,16H,6-7,9-11H2,1-2H3,(H,17,19);1H.
What are the key properties of N-(3-methoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride?
N-(3-methoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 119921880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).