3-methoxy-4-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

C18H29ClN2O3 — CID 119532395

IUPAC3-methoxy-4-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(OC(C)C)c(OC)c1)C1CCNC1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-5-10-20(15-8-9-19-12-15)18(21)14-6-7-16(23-13(2)3)17(11-14)22-4;/h6-7,11,13,15,19H,5,8-10,12H2,1-4H3;1H
InChIKeyREELFWUCZCVPHG-UHFFFAOYSA-N
MW356.89 g/mol
LogP3.12
Rot. Bonds7

About 3-methoxy-4-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

3-methoxy-4-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119532395) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is 3-methoxy-4-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-methoxy-4-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119532395
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC Name3-methoxy-4-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(OC(C)C)c(OC)c1)C1CCNC1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-5-10-20(15-8-9-19-12-15)18(21)14-6-7-16(23-13(2)3)17(11-14)22-4;/h6-7,11,13,15,19H,5,8-10,12H2,1-4H3;1H
InChIKeyREELFWUCZCVPHG-UHFFFAOYSA-N
XLogP3.12
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-trimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530647
3-methoxy-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823113
3-methoxy-N-methyl-N-piperidin-4-yl-4-propan-2-yloxybenzamide
CID 119443778
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
2-fluoro-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530172
4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825588
N-piperidin-4-yl-3,4-dipropoxy-N-propylbenzamide
CID 119825767
4-(difluoromethoxy)-3,5-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826418
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
3-(3-methoxypropoxy)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530577
3-acetamido-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119530168
N-propyl-N-pyrrolidin-3-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 119529985

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 3-methoxy-4-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119532395) is 3-methoxy-4-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 3-methoxy-4-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 3-methoxy-4-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is CCCN(C(=O)c1ccc(OC(C)C)c(OC)c1)C1CCNC1.Cl.
What is the InChIKey of 3-methoxy-4-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is REELFWUCZCVPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-5-10-20(15-8-9-19-12-15)18(21)14-6-7-16(23-13(2)3)17(11-14)22-4;/h6-7,11,13,15,19H,5,8-10,12H2,1-4H3;1H.
What are the key properties of 3-methoxy-4-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
3-methoxy-4-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119532395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).