1-N-methyl-3-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzene-1,3-dicarboxamide

C21H25N3O2 — CID 166234095

IUPAC1-N-methyl-3-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzene-1,3-dicarboxamide
SMILESCNC(=O)c1cccc(C(=O)NC(C)c2cccc(N3CCCC3)c2)c1
InChIInChI=1S/C21H25N3O2/c1-15(16-7-6-10-19(14-16)24-11-3-4-12-24)23-21(26)18-9-5-8-17(13-18)20(25)22-2/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyHMMLVSDUXUCSHO-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.14
Rot. Bonds5

About 1-N-methyl-3-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzene-1,3-dicarboxamide

1-N-methyl-3-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzene-1,3-dicarboxamide (PubChem CID 166234095) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-N-methyl-3-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-methyl-3-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzene-1,3-dicarboxamide
PubChem CID166234095
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-N-methyl-3-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzene-1,3-dicarboxamide
SMILESCNC(=O)c1cccc(C(=O)NC(C)c2cccc(N3CCCC3)c2)c1
InChIInChI=1S/C21H25N3O2/c1-15(16-7-6-10-19(14-16)24-11-3-4-12-24)23-21(26)18-9-5-8-17(13-18)20(25)22-2/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyHMMLVSDUXUCSHO-UHFFFAOYSA-N
XLogP3.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 71856468
2-amino-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide;dihydrochloride
CID 119947462
5-methyl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 71972332
N-[(1R)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 97053477
2-methyl-3-[methyl-[1-(3-pyrrolidin-1-ylphenyl)ethylcarbamoyl]amino]propanoic acid
CID 122005980
N-methyl-3-(4-pyrrolidin-1-ylphenyl)benzamide
CID 168513530
N-(1-phenylethyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225708
1-(4-hydroxycyclohexyl)-3-[(1S)-1-(3-pyrrolidin-1-ylphenyl)ethyl]urea
CID 97050637
4-(hydroxymethyl)-2-methoxy-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 166253184
(1S,4S)-N-[(1R)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 129378513
1-[(4-cyanophenyl)methyl]-3-[(1S)-1-(3-pyrrolidin-1-ylphenyl)ethyl]urea
CID 97050725
1-[(4-cyanophenyl)methyl]-3-[(1R)-1-(3-pyrrolidin-1-ylphenyl)ethyl]urea
CID 97050726

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-3-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-methyl-3-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzene-1,3-dicarboxamide (CID 166234095) is 1-N-methyl-3-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-methyl-3-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-methyl-3-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzene-1,3-dicarboxamide is CNC(=O)c1cccc(C(=O)NC(C)c2cccc(N3CCCC3)c2)c1.
What is the InChIKey of 1-N-methyl-3-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzene-1,3-dicarboxamide?
The InChIKey is HMMLVSDUXUCSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15(16-7-6-10-19(14-16)24-11-3-4-12-24)23-21(26)18-9-5-8-17(13-18)20(25)22-2/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 1-N-methyl-3-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzene-1,3-dicarboxamide?
1-N-methyl-3-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzene-1,3-dicarboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-3-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 166234095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).