5-(hexanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide

C21H33N3O3 — CID 3930160

IUPAC5-(hexanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
SMILESCCCCCC(=O)Nc1ccc(N2CCCC2)c(C(=O)NCCCOC)c1
InChIInChI=1S/C21H33N3O3/c1-3-4-5-9-20(25)23-17-10-11-19(24-13-6-7-14-24)18(16-17)21(26)22-12-8-15-27-2/h10-11,16H,3-9,12-15H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyARWLYKWBKRJNQU-UHFFFAOYSA-N
MW375.51 g/mol
LogP3.57
Rot. Bonds11

About 5-(hexanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide

5-(hexanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 3930160) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is 5-(hexanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(hexanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
PubChem CID3930160
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name5-(hexanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
SMILESCCCCCC(=O)Nc1ccc(N2CCCC2)c(C(=O)NCCCOC)c1
InChIInChI=1S/C21H33N3O3/c1-3-4-5-9-20(25)23-17-10-11-19(24-13-6-7-14-24)18(16-17)21(26)22-12-8-15-27-2/h10-11,16H,3-9,12-15H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyARWLYKWBKRJNQU-UHFFFAOYSA-N
XLogP3.57
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-5-(pentanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 5149607
5-(decanoylamino)-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide
CID 4643650
N-(3-ethoxypropyl)-5-(nonanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 5037032
5-(octanoylamino)-N-propyl-2-pyrrolidin-1-ylbenzamide
CID 42755821
N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)benzamide
CID 4693028
N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)benzamide
CID 4020156
2-(4-benzylpiperazin-1-yl)-5-(heptanoylamino)-N-(3-methoxypropyl)benzamide
CID 42659894
5-acetamido-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3470167
5-(decanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 5202151
5-(heptanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3296405
5-(3,3-dimethylbutanoylamino)-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 5106369
N-[2-(diethylamino)ethyl]-2-piperidin-1-yl-5-(tetradecanoylamino)benzamide
CID 42755679

Frequently Asked Questions

What is the IUPAC name of 5-(hexanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-(hexanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide (CID 3930160) is 5-(hexanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-(hexanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-(hexanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide is CCCCCC(=O)Nc1ccc(N2CCCC2)c(C(=O)NCCCOC)c1.
What is the InChIKey of 5-(hexanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is ARWLYKWBKRJNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-3-4-5-9-20(25)23-17-10-11-19(24-13-6-7-14-24)18(16-17)21(26)22-12-8-15-27-2/h10-11,16H,3-9,12-15H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 5-(hexanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide?
5-(hexanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 375.51 g/mol, XLogP of 3.57, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hexanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 3930160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).