4-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]benzene-1,4-dicarboxamide

C17H23N3O3 — CID 119129641

IUPAC4-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]benzene-1,4-dicarboxamide
SMILESCN(C)C(=O)C1(CNC(=O)c2ccc(C(N)=O)cc2)CCCC1
InChIInChI=1S/C17H23N3O3/c1-20(2)16(23)17(9-3-4-10-17)11-19-15(22)13-7-5-12(6-8-13)14(18)21/h5-8H,3-4,9-11H2,1-2H3,(H2,18,21)(H,19,22)
InChIKeyREEHSLLBZNGVAR-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.16
Rot. Bonds5

About 4-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]benzene-1,4-dicarboxamide

4-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]benzene-1,4-dicarboxamide (PubChem CID 119129641) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]benzene-1,4-dicarboxamide
PubChem CID119129641
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name4-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]benzene-1,4-dicarboxamide
SMILESCN(C)C(=O)C1(CNC(=O)c2ccc(C(N)=O)cc2)CCCC1
InChIInChI=1S/C17H23N3O3/c1-20(2)16(23)17(9-3-4-10-17)11-19-15(22)13-7-5-12(6-8-13)14(18)21/h5-8H,3-4,9-11H2,1-2H3,(H2,18,21)(H,19,22)
InChIKeyREEHSLLBZNGVAR-UHFFFAOYSA-N
XLogP1.16
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide
CID 111570705
N-[2-[[N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111570704
N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-3-methoxy-4-phenylmethoxybenzamide
CID 86946723
4-N-[(1-bromocyclopropyl)methyl]benzene-1,4-dicarboxamide
CID 126828005
1-[[[4-(aminomethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433634
1-[[(4-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81369298
4-[[[N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111571094
tert-butyl N-[1-[[(4-carbamoylbenzoyl)amino]methyl]cycloheptyl]carbamate
CID 31863487
1-[[[1-(hydroxymethyl)cyclopentyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 75426929
1-[[3-(2-aminophenyl)propanoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydrochloride
CID 120610787
1-[[(4-hydroxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445281
1-[[[4-(hydroxymethyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115435645

Frequently Asked Questions

What is the IUPAC name of 4-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]benzene-1,4-dicarboxamide (CID 119129641) is 4-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]benzene-1,4-dicarboxamide is CN(C)C(=O)C1(CNC(=O)c2ccc(C(N)=O)cc2)CCCC1.
What is the InChIKey of 4-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]benzene-1,4-dicarboxamide?
The InChIKey is REEHSLLBZNGVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-20(2)16(23)17(9-3-4-10-17)11-19-15(22)13-7-5-12(6-8-13)14(18)21/h5-8H,3-4,9-11H2,1-2H3,(H2,18,21)(H,19,22).
What are the key properties of 4-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]benzene-1,4-dicarboxamide?
4-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]benzene-1,4-dicarboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 119129641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).