N-(cyclohexylmethyl)-2-[[(10E,12Z)-16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,12,15,17-hexaen-12-yl]amino]oxyacetamide

C26H34N2O6 — CID 123378298

IUPACN-(cyclohexylmethyl)-2-[[(10E,12Z)-16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,12,15,17-hexaen-12-yl]amino]oxyacetamide
SMILESO=C(CONC1=C\c2cc(O)cc(O)c2C(=O)OCCC=CCC\C=C\1)NCC1CCCCC1
InChIInChI=1S/C26H34N2O6/c29-22-15-20-14-21(28-34-18-24(31)27-17-19-10-6-5-7-11-19)12-8-3-1-2-4-9-13-33-26(32)25(20)23(30)16-22/h2,4,8,12,14-16,19,28-30H,1,3,5-7,9-11,13,17-18H2,(H,27,31)/b4-2?,12-8+,21-14-
InChIKeyTUUVOHSOWJVEBH-LFEFGTGZSA-N
MW470.57 g/mol
LogP4.11
Rot. Bonds6

About N-(cyclohexylmethyl)-2-[[(10E,12Z)-16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,12,15,17-hexaen-12-yl]amino]oxyacetamide

N-(cyclohexylmethyl)-2-[[(10E,12Z)-16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,12,15,17-hexaen-12-yl]amino]oxyacetamide (PubChem CID 123378298) has the molecular formula C26H34N2O6 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[[(10E,12Z)-16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,12,15,17-hexaen-12-yl]amino]oxyacetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[[(10E,12Z)-16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,12,15,17-hexaen-12-yl]amino]oxyacetamide
PubChem CID123378298
Molecular FormulaC26H34N2O6
Molecular Weight470.57 g/mol
Exact Mass470.24
IUPAC NameN-(cyclohexylmethyl)-2-[[(10E,12Z)-16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,12,15,17-hexaen-12-yl]amino]oxyacetamide
SMILESO=C(CONC1=C\c2cc(O)cc(O)c2C(=O)OCCC=CCC\C=C\1)NCC1CCCCC1
InChIInChI=1S/C26H34N2O6/c29-22-15-20-14-21(28-34-18-24(31)27-17-19-10-6-5-7-11-19)12-8-3-1-2-4-9-13-33-26(32)25(20)23(30)16-22/h2,4,8,12,14-16,19,28-30H,1,3,5-7,9-11,13,17-18H2,(H,27,31)/b4-2?,12-8+,21-14-
InChIKeyTUUVOHSOWJVEBH-LFEFGTGZSA-N
XLogP4.11
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(cyclohexylmethyl)-2-[[(10E,12Z)-16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,12,15,17-hexaen-12-yl]amino]oxyacetamide with MolForge

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Related Compounds

N-(cyclohexylmethyl)-2-[[(12Z)-16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,12,15,17-hexaen-12-yl]amino]oxyacetamide
CID 123175335
2-[[(4S,12Z)-16,18-dihydroxy-2-oxo-4-propan-2-yl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,12,15,17-hexaen-12-yl]amino]oxyacetic acid
CID 123454676
2-[[(12Z)-15-chloro-16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,12,15,17-hexaen-12-yl]amino]oxy-N-methylacetamide
CID 123570955
N-(cyclohexylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
CID 24534220
(6E,9S,12E)-9,18-dihydroxy-16-methoxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-2-one
CID 58750245
[2-(cyclohexylmethylamino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2580285
(6E,10E)-16,18-dihydroxy-15-(oxan-2-yl)-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaene-2,12-dione
CID 143627391
[2-(cyclohexylmethylamino)-2-oxoethyl] cyclohex-3-ene-1-carboxylate
CID 55313115
(16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-8-yl) acetate
CID 143282496
(6E,10E)-16,18-dihydroxy-12-(2-oxo-2-piperazin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
CID 158746917
N-(2-hydroxyethyl)-2-[(E)-[(6E,10E)-16-hydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetamide;methylcyclopropane
CID 143835906
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate
CID 3572443

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[[(10E,12Z)-16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,12,15,17-hexaen-12-yl]amino]oxyacetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[[(10E,12Z)-16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,12,15,17-hexaen-12-yl]amino]oxyacetamide (CID 123378298) is N-(cyclohexylmethyl)-2-[[(10E,12Z)-16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,12,15,17-hexaen-12-yl]amino]oxyacetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[[(10E,12Z)-16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,12,15,17-hexaen-12-yl]amino]oxyacetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[[(10E,12Z)-16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,12,15,17-hexaen-12-yl]amino]oxyacetamide is O=C(CONC1=C\c2cc(O)cc(O)c2C(=O)OCCC=CCC\C=C\1)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[[(10E,12Z)-16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,12,15,17-hexaen-12-yl]amino]oxyacetamide?
The InChIKey is TUUVOHSOWJVEBH-LFEFGTGZSA-N. The full InChI is InChI=1S/C26H34N2O6/c29-22-15-20-14-21(28-34-18-24(31)27-17-19-10-6-5-7-11-19)12-8-3-1-2-4-9-13-33-26(32)25(20)23(30)16-22/h2,4,8,12,14-16,19,28-30H,1,3,5-7,9-11,13,17-18H2,(H,27,31)/b4-2?,12-8+,21-14-.
What are the key properties of N-(cyclohexylmethyl)-2-[[(10E,12Z)-16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,12,15,17-hexaen-12-yl]amino]oxyacetamide?
N-(cyclohexylmethyl)-2-[[(10E,12Z)-16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,12,15,17-hexaen-12-yl]amino]oxyacetamide has a molecular weight of 470.57 g/mol, XLogP of 4.11, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[[(10E,12Z)-16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,12,15,17-hexaen-12-yl]amino]oxyacetamide is sourced from PubChem (CID 123378298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).