3-methoxy-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzamide

C18H28N2O2 — CID 110403480

IUPAC3-methoxy-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzamide
SMILESCOc1cccc(C(=O)NCC(CC(C)C)N2CCCC2)c1
InChIInChI=1S/C18H28N2O2/c1-14(2)11-16(20-9-4-5-10-20)13-19-18(21)15-7-6-8-17(12-15)22-3/h6-8,12,14,16H,4-5,9-11,13H2,1-3H3,(H,19,21)
InChIKeyWYNKTZKNWSCSMS-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.94
Rot. Bonds7

About 3-methoxy-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzamide

3-methoxy-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzamide (PubChem CID 110403480) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 3-methoxy-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzamide
PubChem CID110403480
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name3-methoxy-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzamide
SMILESCOc1cccc(C(=O)NCC(CC(C)C)N2CCCC2)c1
InChIInChI=1S/C18H28N2O2/c1-14(2)11-16(20-9-4-5-10-20)13-19-18(21)15-7-6-8-17(12-15)22-3/h6-8,12,14,16H,4-5,9-11,13H2,1-3H3,(H,19,21)
InChIKeyWYNKTZKNWSCSMS-UHFFFAOYSA-N
XLogP2.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[(2R)-2-pyrrolidin-1-ylbutyl]benzamide
CID 51658006
3-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide
CID 110402974
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
N-(4-methyl-2-morpholin-4-ylpentyl)-3-phenylmethoxybenzamide
CID 46540846
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
1-[(3-methoxyphenyl)methyl]-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide
CID 111250168
2-hydroxy-4-methoxy-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 43050142
3-iodo-N-[(2S)-2-pyrrolidin-1-ylbutyl]benzamide
CID 51658000
[(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-(4-methyl-2-pyrrolidin-1-ylpentyl)benzamide?
The IUPAC name of 3-methoxy-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzamide (CID 110403480) is 3-methoxy-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzamide.
What is the SMILES notation for 3-methoxy-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzamide?
The canonical SMILES for 3-methoxy-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzamide is COc1cccc(C(=O)NCC(CC(C)C)N2CCCC2)c1.
What is the InChIKey of 3-methoxy-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzamide?
The InChIKey is WYNKTZKNWSCSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14(2)11-16(20-9-4-5-10-20)13-19-18(21)15-7-6-8-17(12-15)22-3/h6-8,12,14,16H,4-5,9-11,13H2,1-3H3,(H,19,21).
What are the key properties of 3-methoxy-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzamide?
3-methoxy-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzamide has a molecular weight of 304.43 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzamide is sourced from PubChem (CID 110403480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).