N-(4-ethoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride

C16H26ClN3O2 — CID 119921935

IUPACN-(4-ethoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
SMILESCCOc1ccc(NC(=O)CN2CCC(CNC)C2)cc1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-3-21-15-6-4-14(5-7-15)18-16(20)12-19-9-8-13(11-19)10-17-2;/h4-7,13,17H,3,8-12H2,1-2H3,(H,18,20);1H
InChIKeyBOTQQCXPLLEAMM-UHFFFAOYSA-N
MW327.86 g/mol
LogP1.99
Rot. Bonds7

About N-(4-ethoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride

N-(4-ethoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride (PubChem CID 119921935) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
PubChem CID119921935
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC NameN-(4-ethoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
SMILESCCOc1ccc(NC(=O)CN2CCC(CNC)C2)cc1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-3-21-15-6-4-14(5-7-15)18-16(20)12-19-9-8-13(11-19)10-17-2;/h4-7,13,17H,3,8-12H2,1-2H3,(H,18,20);1H
InChIKeyBOTQQCXPLLEAMM-UHFFFAOYSA-N
XLogP1.99
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 55169623
(4-ethoxyphenyl) 2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetate
CID 63263850
N-(4-ethoxyphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642593
N-(3-methoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119921880
1-[2-(4-ethoxyanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide
CID 166605733
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 8544001
N-(4-bromophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248697
N-(4-cyanophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248740
2-(4-benzylpiperidin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 22198150
N-(4-ethoxyphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride
CID 120705085
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 119922080

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(4-ethoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride (CID 119921935) is N-(4-ethoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride is CCOc1ccc(NC(=O)CN2CCC(CNC)C2)cc1.Cl.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride?
The InChIKey is BOTQQCXPLLEAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.ClH/c1-3-21-15-6-4-14(5-7-15)18-16(20)12-19-9-8-13(11-19)10-17-2;/h4-7,13,17H,3,8-12H2,1-2H3,(H,18,20);1H.
What are the key properties of N-(4-ethoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride?
N-(4-ethoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 119921935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).