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

C26H34N4O4 — CID 17219362

IUPACN,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
SMILESCCCNC(=O)c1ccc(NC(=O)CCCCC(=O)Nc2ccc(C(=O)NCCC)cc2)cc1
InChIInChI=1S/C26H34N4O4/c1-3-17-27-25(33)19-9-13-21(14-10-19)29-23(31)7-5-6-8-24(32)30-22-15-11-20(12-16-22)26(34)28-18-4-2/h9-16H,3-8,17-18H2,1-2H3,(H,27,33)(H,28,34)(H,29,31)(H,30,32)
InChIKeyLWSOHFKCNHJNQD-UHFFFAOYSA-N
MW466.58 g/mol
LogP4.10
Rot. Bonds13

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

N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide (PubChem CID 17219362) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide.

Molecular Properties

Compound NameN,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
PubChem CID17219362
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC NameN,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
SMILESCCCNC(=O)c1ccc(NC(=O)CCCCC(=O)Nc2ccc(C(=O)NCCC)cc2)cc1
InChIInChI=1S/C26H34N4O4/c1-3-17-27-25(33)19-9-13-21(14-10-19)29-23(31)7-5-6-8-24(32)30-22-15-11-20(12-16-22)26(34)28-18-4-2/h9-16H,3-8,17-18H2,1-2H3,(H,27,33)(H,28,34)(H,29,31)(H,30,32)
InChIKeyLWSOHFKCNHJNQD-UHFFFAOYSA-N
XLogP4.10
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 54.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(hexanoylamino)-N-propylbenzamide
CID 17218821
N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide
CID 17219363
N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide
CID 17195940
4-(decanoylamino)-N-nonylbenzamide
CID 3464563
N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide
CID 17195941
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
N,N'-bis[4-(2-methoxyethylcarbamoyl)phenyl]hexanediamide
CID 17218594
4-(butanoylamino)-N-hexylbenzamide
CID 3934901
2-[[4-[[4-oxo-4-(propylamino)butanoyl]amino]benzoyl]amino]acetic acid
CID 119220461
4-(5-bromopentanoylamino)-N-(2-hydroxyethyl)benzamide
CID 107908924
N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide
CID 17205407
4-(butanoylamino)-N-(2-methoxyethyl)benzamide
CID 4265355

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide?
The IUPAC name of N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide (CID 17219362) is N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide.
What is the SMILES notation for N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide?
The canonical SMILES for N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide is CCCNC(=O)c1ccc(NC(=O)CCCCC(=O)Nc2ccc(C(=O)NCCC)cc2)cc1.
What is the InChIKey of N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide?
The InChIKey is LWSOHFKCNHJNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-3-17-27-25(33)19-9-13-21(14-10-19)29-23(31)7-5-6-8-24(32)30-22-15-11-20(12-16-22)26(34)28-18-4-2/h9-16H,3-8,17-18H2,1-2H3,(H,27,33)(H,28,34)(H,29,31)(H,30,32).
What are the key properties of N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide?
N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide has a molecular weight of 466.58 g/mol, XLogP of 4.10, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide is sourced from PubChem (CID 17219362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).