N-[3-(2-methylpropoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C13H27ClN2O2 — CID 119693624

IUPACN-[3-(2-methylpropoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCC(C)COCCCNC(=O)CC1CCCN1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-11(2)10-17-8-4-7-15-13(16)9-12-5-3-6-14-12;/h11-12,14H,3-10H2,1-2H3,(H,15,16);1H
InChIKeyGZHMCYXMOHLXNY-UHFFFAOYSA-N
MW278.82 g/mol
LogP1.73
Rot. Bonds8

About N-[3-(2-methylpropoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[3-(2-methylpropoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119693624) has the molecular formula C13H27ClN2O2 and a molecular weight of 278.82 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119693624
Molecular FormulaC13H27ClN2O2
Molecular Weight278.82 g/mol
Exact Mass278.18
IUPAC NameN-[3-(2-methylpropoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCC(C)COCCCNC(=O)CC1CCCN1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-11(2)10-17-8-4-7-15-13(16)9-12-5-3-6-14-12;/h11-12,14H,3-10H2,1-2H3,(H,15,16);1H
InChIKeyGZHMCYXMOHLXNY-UHFFFAOYSA-N
XLogP1.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.82
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-propan-2-yloxypropyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119677888
2-methyl-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]propanamide
CID 61365863
N-(3-methoxy-2-methylpropyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119752490
N-[2-[methyl(propan-2-yl)amino]ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119874434
N-(3-hydroxy-4-methoxybutyl)-2-pyrrolidin-2-ylacetamide
CID 106247356
N-octyl-2-pyrrolidin-2-ylacetamide
CID 115567860
N-(3-aminopropyl)-2-pyrrolidin-2-ylacetamide
CID 61366460
N-[3-(2-phenylethoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119739702
N-[3-(4-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide
CID 119757273
N-(2-cyclohexyloxyethyl)-2-pyrrolidin-2-ylacetamide
CID 63826362
2-pyrrolidin-2-yl-N-(4,4,4-trifluorobutyl)acetamide;hydrochloride
CID 119781580
2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride
CID 119835586

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[3-(2-methylpropoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119693624) is N-[3-(2-methylpropoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[3-(2-methylpropoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[3-(2-methylpropoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is CC(C)COCCCNC(=O)CC1CCCN1.Cl.
What is the InChIKey of N-[3-(2-methylpropoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is GZHMCYXMOHLXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.ClH/c1-11(2)10-17-8-4-7-15-13(16)9-12-5-3-6-14-12;/h11-12,14H,3-10H2,1-2H3,(H,15,16);1H.
What are the key properties of N-[3-(2-methylpropoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[3-(2-methylpropoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 278.82 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119693624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).