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

C17H27ClN2O2 — CID 119739702

IUPACN-[3-(2-phenylethoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)NCCCOCCc1ccccc1
InChIInChI=1S/C17H26N2O2.ClH/c20-17(14-16-8-4-10-18-16)19-11-5-12-21-13-9-15-6-2-1-3-7-15;/h1-3,6-7,16,18H,4-5,8-14H2,(H,19,20);1H
InChIKeySCFWGTPHWYZDKS-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.32
Rot. Bonds9

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

N-[3-(2-phenylethoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119739702) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is N-[3-(2-phenylethoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-phenylethoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119739702
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC NameN-[3-(2-phenylethoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)NCCCOCCc1ccccc1
InChIInChI=1S/C17H26N2O2.ClH/c20-17(14-16-8-4-10-18-16)19-11-5-12-21-13-9-15-6-2-1-3-7-15;/h1-3,6-7,16,18H,4-5,8-14H2,(H,19,20);1H
InChIKeySCFWGTPHWYZDKS-UHFFFAOYSA-N
XLogP2.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.32
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-(2-phenylethoxy)propyl]-2-thiomorpholin-3-ylacetamide
CID 119937369
N-[3-(furan-2-ylmethoxy)propyl]-2-pyrrolidin-2-ylacetamide
CID 61364298
N-[2-(4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371571
N-[3-(2-methylpropoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119693624
N-[3-(4-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide
CID 119757273
N-[2-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371395
N-[3-(2-phenylethoxy)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119739682
N-(3-propan-2-yloxypropyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119677888
3-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide;hydrochloride
CID 119770329
N-[2-(benzylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119723698
N-[2-(2,6-dimethylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119734952
4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide
CID 11382839

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenylethoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[3-(2-phenylethoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119739702) is N-[3-(2-phenylethoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[3-(2-phenylethoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[3-(2-phenylethoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is Cl.O=C(CC1CCCN1)NCCCOCCc1ccccc1.
What is the InChIKey of N-[3-(2-phenylethoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is SCFWGTPHWYZDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c20-17(14-16-8-4-10-18-16)19-11-5-12-21-13-9-15-6-2-1-3-7-15;/h1-3,6-7,16,18H,4-5,8-14H2,(H,19,20);1H.
What are the key properties of N-[3-(2-phenylethoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[3-(2-phenylethoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.32, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenylethoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119739702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).