4-[ethyl(propyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide

C18H29N3O — CID 119533737

IUPAC4-[ethyl(propyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCCCN(CC)c1ccc(C(=O)NCCC2CCNC2)cc1
InChIInChI=1S/C18H29N3O/c1-3-13-21(4-2)17-7-5-16(6-8-17)18(22)20-12-10-15-9-11-19-14-15/h5-8,15,19H,3-4,9-14H2,1-2H3,(H,20,22)
InChIKeyXMYFZNWPDZOFQJ-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.65
Rot. Bonds8

About 4-[ethyl(propyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide

4-[ethyl(propyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide (PubChem CID 119533737) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-[ethyl(propyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-[ethyl(propyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide
PubChem CID119533737
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name4-[ethyl(propyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCCCN(CC)c1ccc(C(=O)NCCC2CCNC2)cc1
InChIInChI=1S/C18H29N3O/c1-3-13-21(4-2)17-7-5-16(6-8-17)18(22)20-12-10-15-9-11-19-14-15/h5-8,15,19H,3-4,9-14H2,1-2H3,(H,20,22)
InChIKeyXMYFZNWPDZOFQJ-UHFFFAOYSA-N
XLogP2.65
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119537522
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
4-butoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534630
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
4-(cyclopropanecarbonylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537668
4-[ethyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119390940
3-(diethylsulfamoyl)-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537403
3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63622867
4-(3,5-dimethylpyrazol-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537934
4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536975
4-(2-amino-2-oxoethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119534239
3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624894

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(propyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 4-[ethyl(propyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide (CID 119533737) is 4-[ethyl(propyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 4-[ethyl(propyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 4-[ethyl(propyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide is CCCN(CC)c1ccc(C(=O)NCCC2CCNC2)cc1.
What is the InChIKey of 4-[ethyl(propyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is XMYFZNWPDZOFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-3-13-21(4-2)17-7-5-16(6-8-17)18(22)20-12-10-15-9-11-19-14-15/h5-8,15,19H,3-4,9-14H2,1-2H3,(H,20,22).
What are the key properties of 4-[ethyl(propyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide?
4-[ethyl(propyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 303.45 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(propyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 119533737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).