3-N-(azepan-4-yl)-3-N-methylbenzene-1,3-dicarboxamide

C15H21N3O2 — CID 104974741

IUPAC3-N-(azepan-4-yl)-3-N-methylbenzene-1,3-dicarboxamide
SMILESCN(C(=O)c1cccc(C(N)=O)c1)C1CCCNCC1
InChIInChI=1S/C15H21N3O2/c1-18(13-6-3-8-17-9-7-13)15(20)12-5-2-4-11(10-12)14(16)19/h2,4-5,10,13,17H,3,6-9H2,1H3,(H2,16,19)
InChIKeyHRUXTMQEHLSXRY-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.00
Rot. Bonds3

About 3-N-(azepan-4-yl)-3-N-methylbenzene-1,3-dicarboxamide

3-N-(azepan-4-yl)-3-N-methylbenzene-1,3-dicarboxamide (PubChem CID 104974741) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-N-(azepan-4-yl)-3-N-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(azepan-4-yl)-3-N-methylbenzene-1,3-dicarboxamide
PubChem CID104974741
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-N-(azepan-4-yl)-3-N-methylbenzene-1,3-dicarboxamide
SMILESCN(C(=O)c1cccc(C(N)=O)c1)C1CCCNCC1
InChIInChI=1S/C15H21N3O2/c1-18(13-6-3-8-17-9-7-13)15(20)12-5-2-4-11(10-12)14(16)19/h2,4-5,10,13,17H,3,6-9H2,1H3,(H2,16,19)
InChIKeyHRUXTMQEHLSXRY-UHFFFAOYSA-N
XLogP1.00
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azepan-4-yl)-3,4-dihydroxy-N-methylbenzamide
CID 107728861
N-(azepan-4-yl)-3-chloro-4-iodo-N-methylbenzamide
CID 104974458
N-(azepan-4-yl)-4-bromo-N-methylbenzamide
CID 104974446
N,3-dimethyl-N-piperidin-3-ylbenzamide
CID 60807215
3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442993
N-cyclopropyl-N-methyl-3-piperidin-4-ylbenzamide
CID 70265389
N-(azepan-4-yl)-2,3-dihydroxy-N-methylbenzamide
CID 107172531
3-(carbamoylamino)-N-cyclopentyl-N-methylbenzamide
CID 47128702
3-carbamothioyl-N-cyclopropyl-N-methylbenzamide
CID 43265122
3-ethoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 119443526
N-(azepan-4-yl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 107172564
N-cyclobutyl-N-methyl-3-(methylamino)benzamide
CID 115160881

Frequently Asked Questions

What is the IUPAC name of 3-N-(azepan-4-yl)-3-N-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(azepan-4-yl)-3-N-methylbenzene-1,3-dicarboxamide (CID 104974741) is 3-N-(azepan-4-yl)-3-N-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(azepan-4-yl)-3-N-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(azepan-4-yl)-3-N-methylbenzene-1,3-dicarboxamide is CN(C(=O)c1cccc(C(N)=O)c1)C1CCCNCC1.
What is the InChIKey of 3-N-(azepan-4-yl)-3-N-methylbenzene-1,3-dicarboxamide?
The InChIKey is HRUXTMQEHLSXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18(13-6-3-8-17-9-7-13)15(20)12-5-2-4-11(10-12)14(16)19/h2,4-5,10,13,17H,3,6-9H2,1H3,(H2,16,19).
What are the key properties of 3-N-(azepan-4-yl)-3-N-methylbenzene-1,3-dicarboxamide?
3-N-(azepan-4-yl)-3-N-methylbenzene-1,3-dicarboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(azepan-4-yl)-3-N-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 104974741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).