N-[(2S)-3-cyclohexyl-1-[[(1S)-1-cyclohexyl-2-[2-[2-[2-[2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide

C39H65N7O11 — CID 162644186

IUPACN-[(2S)-3-cyclohexyl-1-[[(1S)-1-cyclohexyl-2-[2-[2-[2-[2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
SMILESCOCc1cn(CCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](NC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccno2)C2CCCCC2)nn1
InChIInChI=1S/C39H65N7O11/c1-50-30-33-29-46(45-44-33)15-17-52-19-21-54-23-25-56-27-26-55-24-22-53-20-18-51-16-14-40-39(49)36(32-10-6-3-7-11-32)43-37(47)34(28-31-8-4-2-5-9-31)42-38(48)35-12-13-41-57-35/h12-13,29,31-32,34,36H,2-11,14-28,30H2,1H3,(H,40,49)(H,42,48)(H,43,47)/t34-,36-/m0/s1
InChIKeyZOKSBQKEZDOZHE-GIWKVKTRSA-N
MW807.99 g/mol
LogP2.46
Rot. Bonds31

About N-[(2S)-3-cyclohexyl-1-[[(1S)-1-cyclohexyl-2-[2-[2-[2-[2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide

N-[(2S)-3-cyclohexyl-1-[[(1S)-1-cyclohexyl-2-[2-[2-[2-[2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide (PubChem CID 162644186) has the molecular formula C39H65N7O11 and a molecular weight of 807.99 g/mol. Its IUPAC name is N-[(2S)-3-cyclohexyl-1-[[(1S)-1-cyclohexyl-2-[2-[2-[2-[2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-cyclohexyl-1-[[(1S)-1-cyclohexyl-2-[2-[2-[2-[2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
PubChem CID162644186
Molecular FormulaC39H65N7O11
Molecular Weight807.99 g/mol
Exact Mass807.47
IUPAC NameN-[(2S)-3-cyclohexyl-1-[[(1S)-1-cyclohexyl-2-[2-[2-[2-[2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
SMILESCOCc1cn(CCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](NC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccno2)C2CCCCC2)nn1
InChIInChI=1S/C39H65N7O11/c1-50-30-33-29-46(45-44-33)15-17-52-19-21-54-23-25-56-27-26-55-24-22-53-20-18-51-16-14-40-39(49)36(32-10-6-3-7-11-32)43-37(47)34(28-31-8-4-2-5-9-31)42-38(48)35-12-13-41-57-35/h12-13,29,31-32,34,36H,2-11,14-28,30H2,1H3,(H,40,49)(H,42,48)(H,43,47)/t34-,36-/m0/s1
InChIKeyZOKSBQKEZDOZHE-GIWKVKTRSA-N
XLogP2.46
TPSA208.65 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds31
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.99
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze N-[(2S)-3-cyclohexyl-1-[[(1S)-1-cyclohexyl-2-[2-[2-[2-[2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-cyclohexyl-1-[[(1S)-1-cyclohexyl-2-[2-[2-[2-[2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2S)-3-cyclohexyl-1-[[(1S)-1-cyclohexyl-2-[2-[2-[2-[2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide (CID 162644186) is N-[(2S)-3-cyclohexyl-1-[[(1S)-1-cyclohexyl-2-[2-[2-[2-[2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-3-cyclohexyl-1-[[(1S)-1-cyclohexyl-2-[2-[2-[2-[2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2S)-3-cyclohexyl-1-[[(1S)-1-cyclohexyl-2-[2-[2-[2-[2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide is COCc1cn(CCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](NC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccno2)C2CCCCC2)nn1.
What is the InChIKey of N-[(2S)-3-cyclohexyl-1-[[(1S)-1-cyclohexyl-2-[2-[2-[2-[2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is ZOKSBQKEZDOZHE-GIWKVKTRSA-N. The full InChI is InChI=1S/C39H65N7O11/c1-50-30-33-29-46(45-44-33)15-17-52-19-21-54-23-25-56-27-26-55-24-22-53-20-18-51-16-14-40-39(49)36(32-10-6-3-7-11-32)43-37(47)34(28-31-8-4-2-5-9-31)42-38(48)35-12-13-41-57-35/h12-13,29,31-32,34,36H,2-11,14-28,30H2,1H3,(H,40,49)(H,42,48)(H,43,47)/t34-,36-/m0/s1.
What are the key properties of N-[(2S)-3-cyclohexyl-1-[[(1S)-1-cyclohexyl-2-[2-[2-[2-[2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide?
N-[(2S)-3-cyclohexyl-1-[[(1S)-1-cyclohexyl-2-[2-[2-[2-[2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 807.99 g/mol, XLogP of 2.46, 31 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-cyclohexyl-1-[[(1S)-1-cyclohexyl-2-[2-[2-[2-[2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 162644186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).