N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide;hydrochloride

C15H21ClN2O5 — CID 119305067

IUPACN-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC(O)COc1ccc2c(c1)OCO2)C1CCCN1
InChIInChI=1S/C15H20N2O5.ClH/c18-10(7-17-15(19)12-2-1-5-16-12)8-20-11-3-4-13-14(6-11)22-9-21-13;/h3-4,6,10,12,16,18H,1-2,5,7-9H2,(H,17,19);1H
InChIKeyQRRGLOLDEBTMTG-UHFFFAOYSA-N
MW344.80 g/mol
LogP0.44
Rot. Bonds6

About N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide;hydrochloride

N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119305067) has the molecular formula C15H21ClN2O5 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119305067
Molecular FormulaC15H21ClN2O5
Molecular Weight344.80 g/mol
Exact Mass344.11
IUPAC NameN-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC(O)COc1ccc2c(c1)OCO2)C1CCCN1
InChIInChI=1S/C15H20N2O5.ClH/c18-10(7-17-15(19)12-2-1-5-16-12)8-20-11-3-4-13-14(6-11)22-9-21-13;/h3-4,6,10,12,16,18H,1-2,5,7-9H2,(H,17,19);1H
InChIKeyQRRGLOLDEBTMTG-UHFFFAOYSA-N
XLogP0.44
TPSA89.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidine-2-carboxamide;hydrochloride
CID 119319070
N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119751814
N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-4,4-difluoro-2,2-dimethylcyclohexane-1-carboxamide
CID 166373622
4-[[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122025005
4-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]butanamide
CID 119305084
N-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(4-chlorophenyl)acetamide
CID 52505208
N-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyridine-4-carboxamide
CID 94796566
N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(4-cyanophenoxy)acetamide
CID 47930494
N-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-chlorobenzamide
CID 94799470
2-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-methylpentanamide
CID 119751829
(2S)-N-(1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide
CID 22691464
(2S)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide;hydrochloride
CID 119668954

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119305067) is N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCC(O)COc1ccc2c(c1)OCO2)C1CCCN1.
What is the InChIKey of N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is QRRGLOLDEBTMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5.ClH/c18-10(7-17-15(19)12-2-1-5-16-12)8-20-11-3-4-13-14(6-11)22-9-21-13;/h3-4,6,10,12,16,18H,1-2,5,7-9H2,(H,17,19);1H.
What are the key properties of N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 344.80 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119305067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).