N,N'-bis[3-(cyclohexylcarbamoyl)phenyl]decanediamide

C36H50N4O4 — CID 17170648

IUPACN,N'-bis[3-(cyclohexylcarbamoyl)phenyl]decanediamide
SMILESO=C(CCCCCCCCC(=O)Nc1cccc(C(=O)NC2CCCCC2)c1)Nc1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C36H50N4O4/c41-33(37-31-21-13-15-27(25-31)35(43)39-29-17-7-5-8-18-29)23-11-3-1-2-4-12-24-34(42)38-32-22-14-16-28(26-32)36(44)40-30-19-9-6-10-20-30/h13-16,21-22,25-26,29-30H,1-12,17-20,23-24H2,(H,37,41)(H,38,42)(H,39,43)(H,40,44)
InChIKeyOSLRZYRQGQNGSO-UHFFFAOYSA-N
MW602.82 g/mol
LogP7.51
Rot. Bonds15

About N,N'-bis[3-(cyclohexylcarbamoyl)phenyl]decanediamide

N,N'-bis[3-(cyclohexylcarbamoyl)phenyl]decanediamide (PubChem CID 17170648) has the molecular formula C36H50N4O4 and a molecular weight of 602.82 g/mol. Its IUPAC name is N,N'-bis[3-(cyclohexylcarbamoyl)phenyl]decanediamide.

Molecular Properties

Compound NameN,N'-bis[3-(cyclohexylcarbamoyl)phenyl]decanediamide
PubChem CID17170648
Molecular FormulaC36H50N4O4
Molecular Weight602.82 g/mol
Exact Mass602.38
IUPAC NameN,N'-bis[3-(cyclohexylcarbamoyl)phenyl]decanediamide
SMILESO=C(CCCCCCCCC(=O)Nc1cccc(C(=O)NC2CCCCC2)c1)Nc1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C36H50N4O4/c41-33(37-31-21-13-15-27(25-31)35(43)39-29-17-7-5-8-18-29)23-11-3-1-2-4-12-24-34(42)38-32-22-14-16-28(26-32)36(44)40-30-19-9-6-10-20-30/h13-16,21-22,25-26,29-30H,1-12,17-20,23-24H2,(H,37,41)(H,38,42)(H,39,43)(H,40,44)
InChIKeyOSLRZYRQGQNGSO-UHFFFAOYSA-N
XLogP7.51
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.82
LogP ≤ 57.51
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[3-(cyclohexylcarbamoyl)phenyl]decanediamide 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

3-(4-chlorobutanoylamino)-N-cyclohexylbenzamide
CID 17170672
N-cyclopropyl-3-(5-hydroxypentanoylamino)benzamide
CID 79199370
3-[6-(cyclohexylcarbamoylamino)hexanoylamino]benzoic acid
CID 119219607
N,N'-bis[4-(cyclohexylcarbamoyl)phenyl]hexanediamide
CID 43878588
3-[3-(2-aminophenyl)propanoylamino]-N-cyclohexylbenzamide
CID 54795525
3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylbenzamide
CID 54795813
3-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-cyclohexylbenzamide
CID 54817859
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831098
N-cyclohexyl-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 47068944
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831035
3-[[2-(3-benzamidoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54839098
N-cyclohexyl-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzamide
CID 17170486

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[3-(cyclohexylcarbamoyl)phenyl]decanediamide?
The IUPAC name of N,N'-bis[3-(cyclohexylcarbamoyl)phenyl]decanediamide (CID 17170648) is N,N'-bis[3-(cyclohexylcarbamoyl)phenyl]decanediamide.
What is the SMILES notation for N,N'-bis[3-(cyclohexylcarbamoyl)phenyl]decanediamide?
The canonical SMILES for N,N'-bis[3-(cyclohexylcarbamoyl)phenyl]decanediamide is O=C(CCCCCCCCC(=O)Nc1cccc(C(=O)NC2CCCCC2)c1)Nc1cccc(C(=O)NC2CCCCC2)c1.
What is the InChIKey of N,N'-bis[3-(cyclohexylcarbamoyl)phenyl]decanediamide?
The InChIKey is OSLRZYRQGQNGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H50N4O4/c41-33(37-31-21-13-15-27(25-31)35(43)39-29-17-7-5-8-18-29)23-11-3-1-2-4-12-24-34(42)38-32-22-14-16-28(26-32)36(44)40-30-19-9-6-10-20-30/h13-16,21-22,25-26,29-30H,1-12,17-20,23-24H2,(H,37,41)(H,38,42)(H,39,43)(H,40,44).
What are the key properties of N,N'-bis[3-(cyclohexylcarbamoyl)phenyl]decanediamide?
N,N'-bis[3-(cyclohexylcarbamoyl)phenyl]decanediamide has a molecular weight of 602.82 g/mol, XLogP of 7.51, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[3-(cyclohexylcarbamoyl)phenyl]decanediamide is sourced from PubChem (CID 17170648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).