4-N-benzyl-1-N-cyclopentyl-4-N-ethylbenzene-1,4-dicarboxamide

C22H26N2O2 — CID 109044420

IUPAC4-N-benzyl-1-N-cyclopentyl-4-N-ethylbenzene-1,4-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(C(=O)NC2CCCC2)cc1
InChIInChI=1S/C22H26N2O2/c1-2-24(16-17-8-4-3-5-9-17)22(26)19-14-12-18(13-15-19)21(25)23-20-10-6-7-11-20/h3-5,8-9,12-15,20H,2,6-7,10-11,16H2,1H3,(H,23,25)
InChIKeyJJZHHLXDKSHQOY-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.02
Rot. Bonds6

About 4-N-benzyl-1-N-cyclopentyl-4-N-ethylbenzene-1,4-dicarboxamide

4-N-benzyl-1-N-cyclopentyl-4-N-ethylbenzene-1,4-dicarboxamide (PubChem CID 109044420) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 4-N-benzyl-1-N-cyclopentyl-4-N-ethylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-1-N-cyclopentyl-4-N-ethylbenzene-1,4-dicarboxamide
PubChem CID109044420
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name4-N-benzyl-1-N-cyclopentyl-4-N-ethylbenzene-1,4-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(C(=O)NC2CCCC2)cc1
InChIInChI=1S/C22H26N2O2/c1-2-24(16-17-8-4-3-5-9-17)22(26)19-14-12-18(13-15-19)21(25)23-20-10-6-7-11-20/h3-5,8-9,12-15,20H,2,6-7,10-11,16H2,1H3,(H,23,25)
InChIKeyJJZHHLXDKSHQOY-UHFFFAOYSA-N
XLogP4.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-N-cyclopentyl-1-N-propylbenzene-1,4-dicarboxamide
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CID 45086871

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-1-N-cyclopentyl-4-N-ethylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-1-N-cyclopentyl-4-N-ethylbenzene-1,4-dicarboxamide (CID 109044420) is 4-N-benzyl-1-N-cyclopentyl-4-N-ethylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-1-N-cyclopentyl-4-N-ethylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-1-N-cyclopentyl-4-N-ethylbenzene-1,4-dicarboxamide is CCN(Cc1ccccc1)C(=O)c1ccc(C(=O)NC2CCCC2)cc1.
What is the InChIKey of 4-N-benzyl-1-N-cyclopentyl-4-N-ethylbenzene-1,4-dicarboxamide?
The InChIKey is JJZHHLXDKSHQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-2-24(16-17-8-4-3-5-9-17)22(26)19-14-12-18(13-15-19)21(25)23-20-10-6-7-11-20/h3-5,8-9,12-15,20H,2,6-7,10-11,16H2,1H3,(H,23,25).
What are the key properties of 4-N-benzyl-1-N-cyclopentyl-4-N-ethylbenzene-1,4-dicarboxamide?
4-N-benzyl-1-N-cyclopentyl-4-N-ethylbenzene-1,4-dicarboxamide has a molecular weight of 350.46 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-1-N-cyclopentyl-4-N-ethylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109044420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).