3-(dicyclohexylamino)-N-[6-[3-(dicyclohexylamino)propanoylamino]hexyl]propanamide

C36H66N4O2 — CID 164764560

IUPAC3-(dicyclohexylamino)-N-[6-[3-(dicyclohexylamino)propanoylamino]hexyl]propanamide
SMILESO=C(CCN(C1CCCCC1)C1CCCCC1)NCCCCCCNC(=O)CCN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C36H66N4O2/c41-35(25-29-39(31-17-7-3-8-18-31)32-19-9-4-10-20-32)37-27-15-1-2-16-28-38-36(42)26-30-40(33-21-11-5-12-22-33)34-23-13-6-14-24-34/h31-34H,1-30H2,(H,37,41)(H,38,42)
InChIKeyYLIPTWHMEDCXEZ-UHFFFAOYSA-N
MW586.95 g/mol
LogP7.49
Rot. Bonds17

About 3-(dicyclohexylamino)-N-[6-[3-(dicyclohexylamino)propanoylamino]hexyl]propanamide

3-(dicyclohexylamino)-N-[6-[3-(dicyclohexylamino)propanoylamino]hexyl]propanamide (PubChem CID 164764560) has the molecular formula C36H66N4O2 and a molecular weight of 586.95 g/mol. Its IUPAC name is 3-(dicyclohexylamino)-N-[6-[3-(dicyclohexylamino)propanoylamino]hexyl]propanamide.

Molecular Properties

Compound Name3-(dicyclohexylamino)-N-[6-[3-(dicyclohexylamino)propanoylamino]hexyl]propanamide
PubChem CID164764560
Molecular FormulaC36H66N4O2
Molecular Weight586.95 g/mol
Exact Mass586.52
IUPAC Name3-(dicyclohexylamino)-N-[6-[3-(dicyclohexylamino)propanoylamino]hexyl]propanamide
SMILESO=C(CCN(C1CCCCC1)C1CCCCC1)NCCCCCCNC(=O)CCN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C36H66N4O2/c41-35(25-29-39(31-17-7-3-8-18-31)32-19-9-4-10-20-32)37-27-15-1-2-16-28-38-36(42)26-30-40(33-21-11-5-12-22-33)34-23-13-6-14-24-34/h31-34H,1-30H2,(H,37,41)(H,38,42)
InChIKeyYLIPTWHMEDCXEZ-UHFFFAOYSA-N
XLogP7.49
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.95
LogP ≤ 57.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(dicyclohexylamino)-N-[6-[3-(dicyclohexylamino)propanoylamino]hexyl]propanamide 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

1-N,1-N-dicyclohexyl-3-N-hexylbut-3-ene-1,3-diamine
CID 167073405
3-[cycloheptyl(methylsulfonyl)amino]-N-pentylpropanamide
CID 113141017
6-amino-N-[3-[cyclohexyl(methyl)amino]propyl]hexanamide
CID 60981769
N-butyl-3-[cyclohexyl(methylsulfonyl)amino]propanamide
CID 113137366
3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide
CID 5183874
zinc bis(3-(dicyclohexylamino)propanoate)
CID 70302332
N-[2-[cyclohexyl(methyl)amino]ethyl]pentanamide
CID 86848662
3-cyclohexyl-N-undecylpropanamide
CID 5146202
N-[2-[acetyl(cyclopentyl)amino]ethyl]pentanamide
CID 113052774
3-[5-[cyclohexyl(methyl)amino]pentyl]-1,1-dimethylurea
CID 110443807
3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid
CID 62230930
7-[[cycloheptyl(methyl)carbamoyl]amino]heptanoic acid
CID 61201091

Frequently Asked Questions

What is the IUPAC name of 3-(dicyclohexylamino)-N-[6-[3-(dicyclohexylamino)propanoylamino]hexyl]propanamide?
The IUPAC name of 3-(dicyclohexylamino)-N-[6-[3-(dicyclohexylamino)propanoylamino]hexyl]propanamide (CID 164764560) is 3-(dicyclohexylamino)-N-[6-[3-(dicyclohexylamino)propanoylamino]hexyl]propanamide.
What is the SMILES notation for 3-(dicyclohexylamino)-N-[6-[3-(dicyclohexylamino)propanoylamino]hexyl]propanamide?
The canonical SMILES for 3-(dicyclohexylamino)-N-[6-[3-(dicyclohexylamino)propanoylamino]hexyl]propanamide is O=C(CCN(C1CCCCC1)C1CCCCC1)NCCCCCCNC(=O)CCN(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 3-(dicyclohexylamino)-N-[6-[3-(dicyclohexylamino)propanoylamino]hexyl]propanamide?
The InChIKey is YLIPTWHMEDCXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H66N4O2/c41-35(25-29-39(31-17-7-3-8-18-31)32-19-9-4-10-20-32)37-27-15-1-2-16-28-38-36(42)26-30-40(33-21-11-5-12-22-33)34-23-13-6-14-24-34/h31-34H,1-30H2,(H,37,41)(H,38,42).
What are the key properties of 3-(dicyclohexylamino)-N-[6-[3-(dicyclohexylamino)propanoylamino]hexyl]propanamide?
3-(dicyclohexylamino)-N-[6-[3-(dicyclohexylamino)propanoylamino]hexyl]propanamide has a molecular weight of 586.95 g/mol, XLogP of 7.49, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dicyclohexylamino)-N-[6-[3-(dicyclohexylamino)propanoylamino]hexyl]propanamide is sourced from PubChem (CID 164764560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).