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

C28H38N4O4 — CID 17149668

IUPACN,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)CCCCC(=O)Nc1ccccc1C(=O)NCCCC
InChIInChI=1S/C28H38N4O4/c1-3-5-19-29-27(35)21-13-7-9-15-23(21)31-25(33)17-11-12-18-26(34)32-24-16-10-8-14-22(24)28(36)30-20-6-4-2/h7-10,13-16H,3-6,11-12,17-20H2,1-2H3,(H,29,35)(H,30,36)(H,31,33)(H,32,34)
InChIKeyPVNUKDQNYXOQPP-UHFFFAOYSA-N
MW494.64 g/mol
LogP4.88
Rot. Bonds15

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

N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide (PubChem CID 17149668) has the molecular formula C28H38N4O4 and a molecular weight of 494.64 g/mol. Its IUPAC name is N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide.

Molecular Properties

Compound NameN,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide
PubChem CID17149668
Molecular FormulaC28H38N4O4
Molecular Weight494.64 g/mol
Exact Mass494.29
IUPAC NameN,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)CCCCC(=O)Nc1ccccc1C(=O)NCCCC
InChIInChI=1S/C28H38N4O4/c1-3-5-19-29-27(35)21-13-7-9-15-23(21)31-25(33)17-11-12-18-26(34)32-24-16-10-8-14-22(24)28(36)30-20-6-4-2/h7-10,13-16H,3-6,11-12,17-20H2,1-2H3,(H,29,35)(H,30,36)(H,31,33)(H,32,34)
InChIKeyPVNUKDQNYXOQPP-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'}

Analyze N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(butylcarbamoyl)anilino]-4-oxobutanoic acid
CID 17149330
N,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide
CID 17148582
methyl 3-[2-(butylcarbamoyl)anilino]-3-oxopropanoate
CID 28638069
N-butyl-2-[4-(4-chlorophenoxy)butanoylamino]benzamide
CID 21367326
N-benzyl-2-(heptanoylamino)benzamide
CID 54789241
N-(2-methylpropyl)-2-(pentanoylamino)benzamide
CID 34734618
N-butyl-2-hydroxy-3-(6-phenylhexanoylamino)benzamide
CID 132561549
N-[2-(butylcarbamoyl)phenyl]-2,3-dihydroxybenzamide
CID 139926551
N-butyl-2-(phenylcarbamoylamino)benzamide
CID 19629104
N-butyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide
CID 17192288
N-butyl-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide
CID 17226272
N-butyl-2-(propan-2-ylcarbamoylamino)benzamide
CID 46585555

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide?
The IUPAC name of N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide (CID 17149668) is N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide.
What is the SMILES notation for N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide?
The canonical SMILES for N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide is CCCCNC(=O)c1ccccc1NC(=O)CCCCC(=O)Nc1ccccc1C(=O)NCCCC.
What is the InChIKey of N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide?
The InChIKey is PVNUKDQNYXOQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O4/c1-3-5-19-29-27(35)21-13-7-9-15-23(21)31-25(33)17-11-12-18-26(34)32-24-16-10-8-14-22(24)28(36)30-20-6-4-2/h7-10,13-16H,3-6,11-12,17-20H2,1-2H3,(H,29,35)(H,30,36)(H,31,33)(H,32,34).
What are the key properties of N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide?
N,N'-bis[2-(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[2-(butylcarbamoyl)phenyl]hexanediamide is sourced from PubChem (CID 17149668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).