3-[[1-[3-[ethyl(methyl)amino]propanoyl]pyrrolidin-3-yl]methyl]benzamide

C18H27N3O2 — CID 86283537

IUPAC3-[[1-[3-[ethyl(methyl)amino]propanoyl]pyrrolidin-3-yl]methyl]benzamide
SMILESCCN(C)CCC(=O)N1CCC(Cc2cccc(C(N)=O)c2)C1
InChIInChI=1S/C18H27N3O2/c1-3-20(2)9-8-17(22)21-10-7-15(13-21)11-14-5-4-6-16(12-14)18(19)23/h4-6,12,15H,3,7-11,13H2,1-2H3,(H2,19,23)
InChIKeyDWVFEUAVJKOWHZ-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.52
Rot. Bonds7

About 3-[[1-[3-[ethyl(methyl)amino]propanoyl]pyrrolidin-3-yl]methyl]benzamide

3-[[1-[3-[ethyl(methyl)amino]propanoyl]pyrrolidin-3-yl]methyl]benzamide (PubChem CID 86283537) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-[[1-[3-[ethyl(methyl)amino]propanoyl]pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[1-[3-[ethyl(methyl)amino]propanoyl]pyrrolidin-3-yl]methyl]benzamide
PubChem CID86283537
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name3-[[1-[3-[ethyl(methyl)amino]propanoyl]pyrrolidin-3-yl]methyl]benzamide
SMILESCCN(C)CCC(=O)N1CCC(Cc2cccc(C(N)=O)c2)C1
InChIInChI=1S/C18H27N3O2/c1-3-20(2)9-8-17(22)21-10-7-15(13-21)11-14-5-4-6-16(12-14)18(19)23/h4-6,12,15H,3,7-11,13H2,1-2H3,(H2,19,23)
InChIKeyDWVFEUAVJKOWHZ-UHFFFAOYSA-N
XLogP1.52
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 95728061
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CID 95724298
3-[(1-butanoylpyrrolidin-3-yl)methyl]benzoic acid
CID 56904595
3-[[1-[2-(benzotriazol-2-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide
CID 56912426
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CID 95711699
3-[[(3R)-1-[3-(2,3-dihydroindol-1-yl)propanoyl]pyrrolidin-3-yl]methyl]benzamide
CID 95709196
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CID 95724796
3-[[(3S)-1-[2-(2,3-dimethylphenoxy)acetyl]pyrrolidin-3-yl]methyl]benzamide
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3-[[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 97134086
3-[[1-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide
CID 70777945
3-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide
CID 72937568
3-[[1-(4-methyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[3-[ethyl(methyl)amino]propanoyl]pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 3-[[1-[3-[ethyl(methyl)amino]propanoyl]pyrrolidin-3-yl]methyl]benzamide (CID 86283537) is 3-[[1-[3-[ethyl(methyl)amino]propanoyl]pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 3-[[1-[3-[ethyl(methyl)amino]propanoyl]pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 3-[[1-[3-[ethyl(methyl)amino]propanoyl]pyrrolidin-3-yl]methyl]benzamide is CCN(C)CCC(=O)N1CCC(Cc2cccc(C(N)=O)c2)C1.
What is the InChIKey of 3-[[1-[3-[ethyl(methyl)amino]propanoyl]pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is DWVFEUAVJKOWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-20(2)9-8-17(22)21-10-7-15(13-21)11-14-5-4-6-16(12-14)18(19)23/h4-6,12,15H,3,7-11,13H2,1-2H3,(H2,19,23).
What are the key properties of 3-[[1-[3-[ethyl(methyl)amino]propanoyl]pyrrolidin-3-yl]methyl]benzamide?
3-[[1-[3-[ethyl(methyl)amino]propanoyl]pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 317.43 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[3-[ethyl(methyl)amino]propanoyl]pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 86283537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).