3-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide

C17H26N2O2 — CID 110402974

IUPAC3-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide
SMILESCOc1cccc(C(=O)NCC(C(C)C)N2CCCC2)c1
InChIInChI=1S/C17H26N2O2/c1-13(2)16(19-9-4-5-10-19)12-18-17(20)14-7-6-8-15(11-14)21-3/h6-8,11,13,16H,4-5,9-10,12H2,1-3H3,(H,18,20)
InChIKeyGDJPCVWEGRRWEB-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.55
Rot. Bonds6

About 3-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide

3-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide (PubChem CID 110402974) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide
PubChem CID110402974
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide
SMILESCOc1cccc(C(=O)NCC(C(C)C)N2CCCC2)c1
InChIInChI=1S/C17H26N2O2/c1-13(2)16(19-9-4-5-10-19)12-18-17(20)14-7-6-8-15(11-14)21-3/h6-8,11,13,16H,4-5,9-10,12H2,1-3H3,(H,18,20)
InChIKeyGDJPCVWEGRRWEB-UHFFFAOYSA-N
XLogP2.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzamide
CID 110403480
3-methoxy-N-[(2R)-2-pyrrolidin-1-ylbutyl]benzamide
CID 51658006
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35133193
3-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984511
3,4,5-trimethoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide
CID 110402980
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide
CID 112503347
3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005771
3-bromo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005762
4-fluoro-3-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide
CID 63212942
3-(methoxymethyl)-N-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 51941744
N-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-3-(3-methoxyphenyl)benzamide
CID 125171289
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882223

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide?
The IUPAC name of 3-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide (CID 110402974) is 3-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide.
What is the SMILES notation for 3-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide?
The canonical SMILES for 3-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide is COc1cccc(C(=O)NCC(C(C)C)N2CCCC2)c1.
What is the InChIKey of 3-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide?
The InChIKey is GDJPCVWEGRRWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(2)16(19-9-4-5-10-19)12-18-17(20)14-7-6-8-15(11-14)21-3/h6-8,11,13,16H,4-5,9-10,12H2,1-3H3,(H,18,20).
What are the key properties of 3-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide?
3-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide has a molecular weight of 290.41 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide is sourced from PubChem (CID 110402974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).