N-[3-(oxan-4-yloxy)propyl]pyrrolidine-2-carboxamide;hydrochloride

C13H25ClN2O3 — CID 119334633

IUPACN-[3-(oxan-4-yloxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCCOC1CCOCC1)C1CCCN1
InChIInChI=1S/C13H24N2O3.ClH/c16-13(12-3-1-6-14-12)15-7-2-8-18-11-4-9-17-10-5-11;/h11-12,14H,1-10H2,(H,15,16);1H
InChIKeyNXXGHXZSXBSBRU-UHFFFAOYSA-N
MW292.81 g/mol
LogP0.86
Rot. Bonds6

About N-[3-(oxan-4-yloxy)propyl]pyrrolidine-2-carboxamide;hydrochloride

N-[3-(oxan-4-yloxy)propyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119334633) has the molecular formula C13H25ClN2O3 and a molecular weight of 292.81 g/mol. Its IUPAC name is N-[3-(oxan-4-yloxy)propyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(oxan-4-yloxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119334633
Molecular FormulaC13H25ClN2O3
Molecular Weight292.81 g/mol
Exact Mass292.16
IUPAC NameN-[3-(oxan-4-yloxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCCOC1CCOCC1)C1CCCN1
InChIInChI=1S/C13H24N2O3.ClH/c16-13(12-3-1-6-14-12)15-7-2-8-18-11-4-9-17-10-5-11;/h11-12,14H,1-10H2,(H,15,16);1H
InChIKeyNXXGHXZSXBSBRU-UHFFFAOYSA-N
XLogP0.86
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(oxan-4-yloxy)propyl]piperidine-2-carboxamide
CID 119334628
(2R)-N-(2-cyclohexyloxyethyl)piperidine-2-carboxamide;hydrochloride
CID 119746139
N-(3-piperidin-4-yloxypropyl)oxane-4-carboxamide
CID 63871444
N-(7-methyloctyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119263597
3-(pyrrolidine-2-carbonylamino)propyl nitrate
CID 67830353
N-(3-morpholin-4-ylpropyl)piperidine-2-carboxamide;dihydrochloride
CID 119827240
N-(3-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119274134
N-[3-(oxolan-3-yloxy)propyl]piperidine-3-carboxamide
CID 119340232
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
N-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxamide
CID 79046602
3-[[(2S)-pyrrolidine-2-carbonyl]amino]propane-1-sulfonic acid
CID 25008297
N-(3-ethoxypropyl)azocane-2-carboxamide
CID 114240040

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxan-4-yloxy)propyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(oxan-4-yloxy)propyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119334633) is N-[3-(oxan-4-yloxy)propyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(oxan-4-yloxy)propyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(oxan-4-yloxy)propyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCCCOC1CCOCC1)C1CCCN1.
What is the InChIKey of N-[3-(oxan-4-yloxy)propyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is NXXGHXZSXBSBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3.ClH/c16-13(12-3-1-6-14-12)15-7-2-8-18-11-4-9-17-10-5-11;/h11-12,14H,1-10H2,(H,15,16);1H.
What are the key properties of N-[3-(oxan-4-yloxy)propyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[3-(oxan-4-yloxy)propyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 292.81 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxan-4-yloxy)propyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119334633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).