N-benzyl-N-(4-methoxybutyl)-2-pyrrolidin-2-ylacetamide;hydrochloride

C18H29ClN2O2 — CID 119752527

IUPACN-benzyl-N-(4-methoxybutyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCOCCCCN(Cc1ccccc1)C(=O)CC1CCCN1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-22-13-6-5-12-20(15-16-8-3-2-4-9-16)18(21)14-17-10-7-11-19-17;/h2-4,8-9,17,19H,5-7,10-15H2,1H3;1H
InChIKeySTLOEVOVPKDWCL-UHFFFAOYSA-N
MW340.89 g/mol
LogP3.01
Rot. Bonds9

About N-benzyl-N-(4-methoxybutyl)-2-pyrrolidin-2-ylacetamide;hydrochloride

N-benzyl-N-(4-methoxybutyl)-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119752527) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.89 g/mol. Its IUPAC name is N-benzyl-N-(4-methoxybutyl)-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-N-(4-methoxybutyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119752527
Molecular FormulaC18H29ClN2O2
Molecular Weight340.89 g/mol
Exact Mass340.19
IUPAC NameN-benzyl-N-(4-methoxybutyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCOCCCCN(Cc1ccccc1)C(=O)CC1CCCN1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-22-13-6-5-12-20(15-16-8-3-2-4-9-16)18(21)14-17-10-7-11-19-17;/h2-4,8-9,17,19H,5-7,10-15H2,1H3;1H
InChIKeySTLOEVOVPKDWCL-UHFFFAOYSA-N
XLogP3.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.89
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-(4-methoxybutyl)-2-pyrrolidin-2-ylacetamide
CID 119752528
methyl 2-[benzyl-(2-pyrrolidin-2-ylacetyl)amino]acetate
CID 61366041
N-(2-amino-2-oxoethyl)-N-benzyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119783040
N-(2-methoxyethyl)-2-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 61365241
N-benzyl-N-(4-methoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 119691210
N-benzyl-2-cyclopentyl-N-(2-methoxyethyl)acetamide
CID 86975819
(2S,4S)-N-benzyl-N-(4-methoxybutyl)-2-methylpiperidine-4-carboxamide
CID 120626020
N-[(4-methylphenyl)methyl]-N-propyl-2-pyrrolidin-2-ylacetamide
CID 61365434
N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119691858
2-[2-methoxyethyl-(2-pyrrolidin-2-ylacetyl)amino]acetic acid
CID 79271684
benzyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658752
benzyl-[[(2R)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658800

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-methoxybutyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-benzyl-N-(4-methoxybutyl)-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119752527) is N-benzyl-N-(4-methoxybutyl)-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-benzyl-N-(4-methoxybutyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-benzyl-N-(4-methoxybutyl)-2-pyrrolidin-2-ylacetamide;hydrochloride is COCCCCN(Cc1ccccc1)C(=O)CC1CCCN1.Cl.
What is the InChIKey of N-benzyl-N-(4-methoxybutyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is STLOEVOVPKDWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-22-13-6-5-12-20(15-16-8-3-2-4-9-16)18(21)14-17-10-7-11-19-17;/h2-4,8-9,17,19H,5-7,10-15H2,1H3;1H.
What are the key properties of N-benzyl-N-(4-methoxybutyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-benzyl-N-(4-methoxybutyl)-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 340.89 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-methoxybutyl)-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119752527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).