propyl 3-cyclohexyl-2-[2-[(3-cyclohexyl-1-oxo-1-propoxypropan-2-yl)amino]ethylamino]propanoate

C26H48N2O4 — CID 46871694

IUPACpropyl 3-cyclohexyl-2-[2-[(3-cyclohexyl-1-oxo-1-propoxypropan-2-yl)amino]ethylamino]propanoate
SMILESCCCOC(=O)C(CC1CCCCC1)NCCNC(CC1CCCCC1)C(=O)OCCC
InChIInChI=1S/C26H48N2O4/c1-3-17-31-25(29)23(19-21-11-7-5-8-12-21)27-15-16-28-24(26(30)32-18-4-2)20-22-13-9-6-10-14-22/h21-24,27-28H,3-20H2,1-2H3
InChIKeyWLODUOOTVSLUFU-UHFFFAOYSA-N
MW452.68 g/mol
LogP4.75
Rot. Bonds15

About propyl 3-cyclohexyl-2-[2-[(3-cyclohexyl-1-oxo-1-propoxypropan-2-yl)amino]ethylamino]propanoate

propyl 3-cyclohexyl-2-[2-[(3-cyclohexyl-1-oxo-1-propoxypropan-2-yl)amino]ethylamino]propanoate (PubChem CID 46871694) has the molecular formula C26H48N2O4 and a molecular weight of 452.68 g/mol. Its IUPAC name is propyl 3-cyclohexyl-2-[2-[(3-cyclohexyl-1-oxo-1-propoxypropan-2-yl)amino]ethylamino]propanoate.

Molecular Properties

Compound Namepropyl 3-cyclohexyl-2-[2-[(3-cyclohexyl-1-oxo-1-propoxypropan-2-yl)amino]ethylamino]propanoate
PubChem CID46871694
Molecular FormulaC26H48N2O4
Molecular Weight452.68 g/mol
Exact Mass452.36
IUPAC Namepropyl 3-cyclohexyl-2-[2-[(3-cyclohexyl-1-oxo-1-propoxypropan-2-yl)amino]ethylamino]propanoate
SMILESCCCOC(=O)C(CC1CCCCC1)NCCNC(CC1CCCCC1)C(=O)OCCC
InChIInChI=1S/C26H48N2O4/c1-3-17-31-25(29)23(19-21-11-7-5-8-12-21)27-15-16-28-24(26(30)32-18-4-2)20-22-13-9-6-10-14-22/h21-24,27-28H,3-20H2,1-2H3
InChIKeyWLODUOOTVSLUFU-UHFFFAOYSA-N
XLogP4.75
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.68
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze propyl 3-cyclohexyl-2-[2-[(3-cyclohexyl-1-oxo-1-propoxypropan-2-yl)amino]ethylamino]propanoate with MolForge

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Related Compounds

(2S)-3-cyclohexyl-2-(propylamino)propanoic acid
CID 175818712
propyl 2-amino-2-cyclohexylacetate
CID 61016884
dimethyl 2-(cyclohexylmethyl)propanedioate
CID 22460415
ethyl (2S)-2-[[(2S)-2-amino-3-methylpentanoyl]amino]-3-cyclopentylpropanoate
CID 157337378
ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride
CID 67876797
ethyl 4-(2-cyclobutylethoxy)-2-(propylamino)butanoate
CID 114157841
2-(cyclopentylmethyl)-3-methoxy-3-oxopropanoic acid
CID 11672870
(2S)-3-cyclohexyl-2-(iodoamino)propanoic acid
CID 142921806
ethyl 3-(cyclopentylmethylsulfanyl)-2-(propan-2-ylamino)propanoate
CID 63120109
methyl 3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 4264602
N-(3-aminopropyl)-3-cyclohexyl-2-methylpropanamide
CID 119407411
methyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate
CID 171080468

Frequently Asked Questions

What is the IUPAC name of propyl 3-cyclohexyl-2-[2-[(3-cyclohexyl-1-oxo-1-propoxypropan-2-yl)amino]ethylamino]propanoate?
The IUPAC name of propyl 3-cyclohexyl-2-[2-[(3-cyclohexyl-1-oxo-1-propoxypropan-2-yl)amino]ethylamino]propanoate (CID 46871694) is propyl 3-cyclohexyl-2-[2-[(3-cyclohexyl-1-oxo-1-propoxypropan-2-yl)amino]ethylamino]propanoate.
What is the SMILES notation for propyl 3-cyclohexyl-2-[2-[(3-cyclohexyl-1-oxo-1-propoxypropan-2-yl)amino]ethylamino]propanoate?
The canonical SMILES for propyl 3-cyclohexyl-2-[2-[(3-cyclohexyl-1-oxo-1-propoxypropan-2-yl)amino]ethylamino]propanoate is CCCOC(=O)C(CC1CCCCC1)NCCNC(CC1CCCCC1)C(=O)OCCC.
What is the InChIKey of propyl 3-cyclohexyl-2-[2-[(3-cyclohexyl-1-oxo-1-propoxypropan-2-yl)amino]ethylamino]propanoate?
The InChIKey is WLODUOOTVSLUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48N2O4/c1-3-17-31-25(29)23(19-21-11-7-5-8-12-21)27-15-16-28-24(26(30)32-18-4-2)20-22-13-9-6-10-14-22/h21-24,27-28H,3-20H2,1-2H3.
What are the key properties of propyl 3-cyclohexyl-2-[2-[(3-cyclohexyl-1-oxo-1-propoxypropan-2-yl)amino]ethylamino]propanoate?
propyl 3-cyclohexyl-2-[2-[(3-cyclohexyl-1-oxo-1-propoxypropan-2-yl)amino]ethylamino]propanoate has a molecular weight of 452.68 g/mol, XLogP of 4.75, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-cyclohexyl-2-[2-[(3-cyclohexyl-1-oxo-1-propoxypropan-2-yl)amino]ethylamino]propanoate is sourced from PubChem (CID 46871694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).