3-(dimethylamino)-N-(3-pyrrol-1-ylpropyl)benzamide

C16H21N3O — CID 90500669

IUPAC3-(dimethylamino)-N-(3-pyrrol-1-ylpropyl)benzamide
SMILESCN(C)c1cccc(C(=O)NCCCn2cccc2)c1
InChIInChI=1S/C16H21N3O/c1-18(2)15-8-5-7-14(13-15)16(20)17-9-6-12-19-10-3-4-11-19/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H,17,20)
InChIKeyYGHRVMAFMSVZHE-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.37
Rot. Bonds6

About 3-(dimethylamino)-N-(3-pyrrol-1-ylpropyl)benzamide

3-(dimethylamino)-N-(3-pyrrol-1-ylpropyl)benzamide (PubChem CID 90500669) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(3-pyrrol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(3-pyrrol-1-ylpropyl)benzamide
PubChem CID90500669
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-(dimethylamino)-N-(3-pyrrol-1-ylpropyl)benzamide
SMILESCN(C)c1cccc(C(=O)NCCCn2cccc2)c1
InChIInChI=1S/C16H21N3O/c1-18(2)15-8-5-7-14(13-15)16(20)17-9-6-12-19-10-3-4-11-19/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H,17,20)
InChIKeyYGHRVMAFMSVZHE-UHFFFAOYSA-N
XLogP2.37
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[3-(dimethylamino)benzoyl]amino]butanoic acid
CID 43089726
N-(5-chloropentyl)-3-(dimethylamino)benzamide
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CID 46434078
3-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110444367
3-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 25335787
3-(dimethylamino)-N-[5-(4-ethylpiperazin-1-yl)pentyl]benzamide
CID 110444371
3-(dimethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 47182779
3-(dimethylamino)-N-(3,3-diphenylpropyl)benzamide
CID 7892053
3-(dimethylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110444418
3-(dimethylamino)-N-pent-3-ynylbenzamide
CID 115977332
methyl 4-(3-pyrrol-1-ylpropylcarbamoyl)benzoate
CID 90500522
N-[2-(4-aminopyrazol-1-yl)ethyl]-3-(dimethylamino)benzamide
CID 115319557

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(3-pyrrol-1-ylpropyl)benzamide?
The IUPAC name of 3-(dimethylamino)-N-(3-pyrrol-1-ylpropyl)benzamide (CID 90500669) is 3-(dimethylamino)-N-(3-pyrrol-1-ylpropyl)benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-(3-pyrrol-1-ylpropyl)benzamide?
The canonical SMILES for 3-(dimethylamino)-N-(3-pyrrol-1-ylpropyl)benzamide is CN(C)c1cccc(C(=O)NCCCn2cccc2)c1.
What is the InChIKey of 3-(dimethylamino)-N-(3-pyrrol-1-ylpropyl)benzamide?
The InChIKey is YGHRVMAFMSVZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-18(2)15-8-5-7-14(13-15)16(20)17-9-6-12-19-10-3-4-11-19/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H,17,20).
What are the key properties of 3-(dimethylamino)-N-(3-pyrrol-1-ylpropyl)benzamide?
3-(dimethylamino)-N-(3-pyrrol-1-ylpropyl)benzamide has a molecular weight of 271.36 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(3-pyrrol-1-ylpropyl)benzamide is sourced from PubChem (CID 90500669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).