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

C28H38N4O4 — CID 17195940

IUPACN,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide
SMILESCCCCNC(=O)c1ccc(NC(=O)CCCCC(=O)Nc2ccc(C(=O)NCCCC)cc2)cc1
InChIInChI=1S/C28H38N4O4/c1-3-5-19-29-27(35)21-11-15-23(16-12-21)31-25(33)9-7-8-10-26(34)32-24-17-13-22(14-18-24)28(36)30-20-6-4-2/h11-18H,3-10,19-20H2,1-2H3,(H,29,35)(H,30,36)(H,31,33)(H,32,34)
InChIKeyWXOUUJDTLOPCNT-UHFFFAOYSA-N
MW494.64 g/mol
LogP4.88
Rot. Bonds15

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

N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide (PubChem CID 17195940) has the molecular formula C28H38N4O4 and a molecular weight of 494.64 g/mol. Its IUPAC name is N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide.

Molecular Properties

Compound NameN,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide
PubChem CID17195940
Molecular FormulaC28H38N4O4
Molecular Weight494.64 g/mol
Exact Mass494.29
IUPAC NameN,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide
SMILESCCCCNC(=O)c1ccc(NC(=O)CCCCC(=O)Nc2ccc(C(=O)NCCCC)cc2)cc1
InChIInChI=1S/C28H38N4O4/c1-3-5-19-29-27(35)21-11-15-23(16-12-21)31-25(33)9-7-8-10-26(34)32-24-17-13-22(14-18-24)28(36)30-20-6-4-2/h11-18H,3-10,19-20H2,1-2H3,(H,29,35)(H,30,36)(H,31,33)(H,32,34)
InChIKeyWXOUUJDTLOPCNT-UHFFFAOYSA-N
XLogP4.88
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 54.88
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

N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide
CID 17195941
4-(decanoylamino)-N-nonylbenzamide
CID 3464563
4-(hexanoylamino)-N-propylbenzamide
CID 17218821
N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
CID 17219362
N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide
CID 17219363
4-(butanoylamino)-N-hexylbenzamide
CID 3934901
N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832366
N-hexyl-4-(propanoylamino)benzamide
CID 17257310
N,N'-bis[4-(2-methoxyethylcarbamoyl)phenyl]hexanediamide
CID 17218594
N-butyl-4-[[2-(diethylamino)acetyl]amino]benzamide
CID 54813570
N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide
CID 17205407
N-butyl-4-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817609

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide?
The IUPAC name of N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide (CID 17195940) is N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide.
What is the SMILES notation for N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide?
The canonical SMILES for N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide is CCCCNC(=O)c1ccc(NC(=O)CCCCC(=O)Nc2ccc(C(=O)NCCCC)cc2)cc1.
What is the InChIKey of N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide?
The InChIKey is WXOUUJDTLOPCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O4/c1-3-5-19-29-27(35)21-11-15-23(16-12-21)31-25(33)9-7-8-10-26(34)32-24-17-13-22(14-18-24)28(36)30-20-6-4-2/h11-18H,3-10,19-20H2,1-2H3,(H,29,35)(H,30,36)(H,31,33)(H,32,34).
What are the key properties of N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide?
N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide has a molecular weight of 494.64 g/mol, XLogP of 4.88, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide is sourced from PubChem (CID 17195940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).