3-hydroxy-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide

C14H20N2O3 — CID 79725500

IUPAC3-hydroxy-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCN2CCCC2)cc1O
InChIInChI=1S/C14H20N2O3/c1-19-13-5-4-11(10-12(13)17)14(18)15-6-9-16-7-2-3-8-16/h4-5,10,17H,2-3,6-9H2,1H3,(H,15,18)
InChIKeyORFJYKYDMARFOP-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.23
Rot. Bonds5

About 3-hydroxy-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide

3-hydroxy-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 79725500) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID79725500
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-hydroxy-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCN2CCCC2)cc1O
InChIInChI=1S/C14H20N2O3/c1-19-13-5-4-11(10-12(13)17)14(18)15-6-9-16-7-2-3-8-16/h4-5,10,17H,2-3,6-9H2,1H3,(H,15,18)
InChIKeyORFJYKYDMARFOP-UHFFFAOYSA-N
XLogP1.23
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
3-iodo-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 10452834
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
3-hydroxy-4-iodo-N-(2-piperidin-1-ylethyl)benzamide
CID 104627715
N-ethyl-3-hydroxy-4-methoxybenzamide
CID 79600193
3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide
CID 79600016
N-[2-(ethylamino)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79733239
2-methoxy-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide
CID 68809387
2-hydroxy-3-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 60682639
3-hydroxy-4-methoxy-N-[2-(propylamino)ethyl]benzamide
CID 79733240
3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 79467099
4-bromo-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 18367611

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 3-hydroxy-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 79725500) is 3-hydroxy-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 3-hydroxy-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 3-hydroxy-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide is COc1ccc(C(=O)NCCN2CCCC2)cc1O.
What is the InChIKey of 3-hydroxy-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is ORFJYKYDMARFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-13-5-4-11(10-12(13)17)14(18)15-6-9-16-7-2-3-8-16/h4-5,10,17H,2-3,6-9H2,1H3,(H,15,18).
What are the key properties of 3-hydroxy-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide?
3-hydroxy-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 264.32 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 79725500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).