N,N'-bis[4-(2-methoxyethylcarbamoyl)phenyl]hexanediamide

C26H34N4O6 — CID 17218594

IUPACN,N'-bis[4-(2-methoxyethylcarbamoyl)phenyl]hexanediamide
SMILESCOCCNC(=O)c1ccc(NC(=O)CCCCC(=O)Nc2ccc(C(=O)NCCOC)cc2)cc1
InChIInChI=1S/C26H34N4O6/c1-35-17-15-27-25(33)19-7-11-21(12-8-19)29-23(31)5-3-4-6-24(32)30-22-13-9-20(10-14-22)26(34)28-16-18-36-2/h7-14H,3-6,15-18H2,1-2H3,(H,27,33)(H,28,34)(H,29,31)(H,30,32)
InChIKeyBOVKTFSSHMARGT-UHFFFAOYSA-N
MW498.58 g/mol
LogP2.58
Rot. Bonds15

About N,N'-bis[4-(2-methoxyethylcarbamoyl)phenyl]hexanediamide

N,N'-bis[4-(2-methoxyethylcarbamoyl)phenyl]hexanediamide (PubChem CID 17218594) has the molecular formula C26H34N4O6 and a molecular weight of 498.58 g/mol. Its IUPAC name is N,N'-bis[4-(2-methoxyethylcarbamoyl)phenyl]hexanediamide.

Molecular Properties

Compound NameN,N'-bis[4-(2-methoxyethylcarbamoyl)phenyl]hexanediamide
PubChem CID17218594
Molecular FormulaC26H34N4O6
Molecular Weight498.58 g/mol
Exact Mass498.25
IUPAC NameN,N'-bis[4-(2-methoxyethylcarbamoyl)phenyl]hexanediamide
SMILESCOCCNC(=O)c1ccc(NC(=O)CCCCC(=O)Nc2ccc(C(=O)NCCOC)cc2)cc1
InChIInChI=1S/C26H34N4O6/c1-35-17-15-27-25(33)19-7-11-21(12-8-19)29-23(31)5-3-4-6-24(32)30-22-13-9-20(10-14-22)26(34)28-16-18-36-2/h7-14H,3-6,15-18H2,1-2H3,(H,27,33)(H,28,34)(H,29,31)(H,30,32)
InChIKeyBOVKTFSSHMARGT-UHFFFAOYSA-N
XLogP2.58
TPSA134.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(butanoylamino)-N-(2-methoxyethyl)benzamide
CID 4265355
N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide
CID 17205407
N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
CID 17219362
N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide
CID 17195940
4-(hexanoylamino)-N-propylbenzamide
CID 17218821
N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide
CID 17219363
4-[4-(2,4-dichlorophenoxy)butanoylamino]-N-(2-methoxyethyl)benzamide
CID 17218213
4-(decanoylamino)-N-nonylbenzamide
CID 3464563
4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836640
4-[[2-(diethylamino)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54813755
4-N-(4-acetylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045198
N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide
CID 17195941

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4-(2-methoxyethylcarbamoyl)phenyl]hexanediamide?
The IUPAC name of N,N'-bis[4-(2-methoxyethylcarbamoyl)phenyl]hexanediamide (CID 17218594) is N,N'-bis[4-(2-methoxyethylcarbamoyl)phenyl]hexanediamide.
What is the SMILES notation for N,N'-bis[4-(2-methoxyethylcarbamoyl)phenyl]hexanediamide?
The canonical SMILES for N,N'-bis[4-(2-methoxyethylcarbamoyl)phenyl]hexanediamide is COCCNC(=O)c1ccc(NC(=O)CCCCC(=O)Nc2ccc(C(=O)NCCOC)cc2)cc1.
What is the InChIKey of N,N'-bis[4-(2-methoxyethylcarbamoyl)phenyl]hexanediamide?
The InChIKey is BOVKTFSSHMARGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O6/c1-35-17-15-27-25(33)19-7-11-21(12-8-19)29-23(31)5-3-4-6-24(32)30-22-13-9-20(10-14-22)26(34)28-16-18-36-2/h7-14H,3-6,15-18H2,1-2H3,(H,27,33)(H,28,34)(H,29,31)(H,30,32).
What are the key properties of N,N'-bis[4-(2-methoxyethylcarbamoyl)phenyl]hexanediamide?
N,N'-bis[4-(2-methoxyethylcarbamoyl)phenyl]hexanediamide has a molecular weight of 498.58 g/mol, XLogP of 2.58, 15 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4-(2-methoxyethylcarbamoyl)phenyl]hexanediamide is sourced from PubChem (CID 17218594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).