N-(3-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride

C14H21ClN2O2 — CID 119274134

IUPACN-(3-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCCOc1ccccc1)C1CCCN1
InChIInChI=1S/C14H20N2O2.ClH/c17-14(13-8-4-9-15-13)16-10-5-11-18-12-6-2-1-3-7-12;/h1-3,6-7,13,15H,4-5,8-11H2,(H,16,17);1H
InChIKeyZMRGGLFSVNCLNQ-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.75
Rot. Bonds6

About N-(3-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride

N-(3-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119274134) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-(3-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119274134
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC NameN-(3-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCCOc1ccccc1)C1CCCN1
InChIInChI=1S/C14H20N2O2.ClH/c17-14(13-8-4-9-15-13)16-10-5-11-18-12-6-2-1-3-7-12;/h1-3,6-7,13,15H,4-5,8-11H2,(H,16,17);1H
InChIKeyZMRGGLFSVNCLNQ-UHFFFAOYSA-N
XLogP1.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.75
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

(2S)-N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 58563871
N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 55017247
N-(2-phenoxyethyl)azepane-2-carboxamide
CID 64562494
N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119266831
N-[3-(4-methylphenoxy)propyl]piperidine-2-carboxamide
CID 119308262
(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 14234527
N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119296140
N-[2-(3-chlorophenoxy)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119295688
N-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxamide
CID 119266821
(2S)-N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 119296149
N-[3-[3,5-bis(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide
CID 118661126
N-[2-(2-fluorophenoxy)ethyl]pyrrolidine-2-carboxamide
CID 110481245

Frequently Asked Questions

What is the IUPAC name of N-(3-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride (CID 119274134) is N-(3-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCCCOc1ccccc1)C1CCCN1.
What is the InChIKey of N-(3-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is ZMRGGLFSVNCLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c17-14(13-8-4-9-15-13)16-10-5-11-18-12-6-2-1-3-7-12;/h1-3,6-7,13,15H,4-5,8-11H2,(H,16,17);1H.
What are the key properties of N-(3-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride?
N-(3-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119274134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).