N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-4-methoxy-3-methylbenzamide

C18H26N2O2 — CID 91790621

IUPACN-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-4-methoxy-3-methylbenzamide
SMILESCOc1ccc(C(=O)NCCC23CCCN2CCC3)cc1C
InChIInChI=1S/C18H26N2O2/c1-14-13-15(5-6-16(14)22-2)17(21)19-10-9-18-7-3-11-20(18)12-4-8-18/h5-6,13H,3-4,7-12H2,1-2H3,(H,19,21)
InChIKeyDAKPFEGUTDJUMB-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.75
Rot. Bonds5

About N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-4-methoxy-3-methylbenzamide

N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-4-methoxy-3-methylbenzamide (PubChem CID 91790621) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-4-methoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-4-methoxy-3-methylbenzamide
PubChem CID91790621
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-4-methoxy-3-methylbenzamide
SMILESCOc1ccc(C(=O)NCCC23CCCN2CCC3)cc1C
InChIInChI=1S/C18H26N2O2/c1-14-13-15(5-6-16(14)22-2)17(21)19-10-9-18-7-3-11-20(18)12-4-8-18/h5-6,13H,3-4,7-12H2,1-2H3,(H,19,21)
InChIKeyDAKPFEGUTDJUMB-UHFFFAOYSA-N
XLogP2.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methoxybenzamide
CID 91795547
3-fluoro-4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 17446987
N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-3-methylpyridine-2-carboxamide
CID 91773288
4-fluoro-3-methoxy-N-(2,3,5,8-tetrahydro-1H-indolizin-8a-ylmethyl)benzamide
CID 167885147
3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
3-hydroxy-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 79725500
4-methoxy-3-methyl-N-(2-phenoxyethyl)benzamide
CID 100543454
3-fluoro-4-methoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139028774
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
4-methoxy-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 155705964
N-benzyl-4-methoxy-3-methylbenzamide
CID 17018002

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-4-methoxy-3-methylbenzamide?
The IUPAC name of N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-4-methoxy-3-methylbenzamide (CID 91790621) is N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-4-methoxy-3-methylbenzamide.
What is the SMILES notation for N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-4-methoxy-3-methylbenzamide?
The canonical SMILES for N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-4-methoxy-3-methylbenzamide is COc1ccc(C(=O)NCCC23CCCN2CCC3)cc1C.
What is the InChIKey of N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-4-methoxy-3-methylbenzamide?
The InChIKey is DAKPFEGUTDJUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14-13-15(5-6-16(14)22-2)17(21)19-10-9-18-7-3-11-20(18)12-4-8-18/h5-6,13H,3-4,7-12H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-4-methoxy-3-methylbenzamide?
N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-4-methoxy-3-methylbenzamide has a molecular weight of 302.42 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-4-methoxy-3-methylbenzamide is sourced from PubChem (CID 91790621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).