2-[[(6E,10E)-16,18-dihydroxy-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide

C26H36N2O6 — CID 159728435

IUPAC2-[[(6E,10E)-16,18-dihydroxy-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide
SMILESCCCC1C/C=C/CC/C=C/C(=NOCC(=O)N(CC)CC)Cc2cc(O)cc(O)c2C(=O)O1
InChIInChI=1S/C26H36N2O6/c1-4-12-22-14-11-9-7-8-10-13-20(27-33-18-24(31)28(5-2)6-3)15-19-16-21(29)17-23(30)25(19)26(32)34-22/h9-11,13,16-17,22,29-30H,4-8,12,14-15,18H2,1-3H3/b11-9+,13-10+,27-20?
InChIKeyNAXRMVOJTGVHQW-YCAAIJEPSA-N
MW472.58 g/mol
LogP4.50
Rot. Bonds7

About 2-[[(6E,10E)-16,18-dihydroxy-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide

2-[[(6E,10E)-16,18-dihydroxy-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide (PubChem CID 159728435) has the molecular formula C26H36N2O6 and a molecular weight of 472.58 g/mol. Its IUPAC name is 2-[[(6E,10E)-16,18-dihydroxy-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[(6E,10E)-16,18-dihydroxy-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide
PubChem CID159728435
Molecular FormulaC26H36N2O6
Molecular Weight472.58 g/mol
Exact Mass472.26
IUPAC Name2-[[(6E,10E)-16,18-dihydroxy-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide
SMILESCCCC1C/C=C/CC/C=C/C(=NOCC(=O)N(CC)CC)Cc2cc(O)cc(O)c2C(=O)O1
InChIInChI=1S/C26H36N2O6/c1-4-12-22-14-11-9-7-8-10-13-20(27-33-18-24(31)28(5-2)6-3)15-19-16-21(29)17-23(30)25(19)26(32)34-22/h9-11,13,16-17,22,29-30H,4-8,12,14-15,18H2,1-3H3/b11-9+,13-10+,27-20?
InChIKeyNAXRMVOJTGVHQW-YCAAIJEPSA-N
XLogP4.50
TPSA108.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.58
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[(6E,10E)-16,18-dihydroxy-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide with MolForge

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Related Compounds

N,N-diethyl-2-[(E)-[(4R,6E)-4,16,18-trimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide
CID 123667446
N,N-diethyl-2-[(E)-[(6E,10E)-10,16,18-trimethyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide
CID 58373468
(6E,10E)-16,18-dihydroxy-10-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
CID 147122779
(6E,10E,12Z)-16-ethoxy-18-methoxy-12-(2-oxodecoxyimino)-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
CID 172918527
(7E,11E,13Z)-16-chloro-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;(7E,11E,13E)-16-chloro-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;2-[(E)-[(6E,10E)-15-chloro-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;(5E,11Z)-14-chloro-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-14-chloro-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(7E,11E,13Z)-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;(7E,11E,13E)-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;2-[(Z)-[(6E,10E)-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;2-[(E)-[(6E,10E)-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;(5E,9E,11Z)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,9,14,16-pentaen-2-one;(5E,11Z)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one
CID 172973489
2-[(E)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide
CID 58373346
(6E,10E,12Z)-12-[(Z,2E)-2-ethylidenepent-3-enoxy]imino-16,18-dihydroxy-4-propan-2-yl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
CID 143627494
(6E,10E)-16,18-dihydroxy-4-methyl-12-[(4-methylphenyl)methoxyimino]-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
CID 158793394
2-[(E)-[(6E,10E)-15-chloro-16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide
CID 58421909
(4S,6E,10E)-16,18-dihydroxy-4-(2-iodoethyl)-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione
CID 163864150
(4R,6E,10E)-16,18-dihydroxy-4-phenyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
CID 158285184
2-[(E)-[(6E,10E)-16-hydroxy-18-methyl-2-methylidene-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-di(propan-2-yl)acetamide
CID 121367046

Frequently Asked Questions

What is the IUPAC name of 2-[[(6E,10E)-16,18-dihydroxy-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide?
The IUPAC name of 2-[[(6E,10E)-16,18-dihydroxy-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide (CID 159728435) is 2-[[(6E,10E)-16,18-dihydroxy-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide.
What is the SMILES notation for 2-[[(6E,10E)-16,18-dihydroxy-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide?
The canonical SMILES for 2-[[(6E,10E)-16,18-dihydroxy-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide is CCCC1C/C=C/CC/C=C/C(=NOCC(=O)N(CC)CC)Cc2cc(O)cc(O)c2C(=O)O1.
What is the InChIKey of 2-[[(6E,10E)-16,18-dihydroxy-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide?
The InChIKey is NAXRMVOJTGVHQW-YCAAIJEPSA-N. The full InChI is InChI=1S/C26H36N2O6/c1-4-12-22-14-11-9-7-8-10-13-20(27-33-18-24(31)28(5-2)6-3)15-19-16-21(29)17-23(30)25(19)26(32)34-22/h9-11,13,16-17,22,29-30H,4-8,12,14-15,18H2,1-3H3/b11-9+,13-10+,27-20?.
What are the key properties of 2-[[(6E,10E)-16,18-dihydroxy-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide?
2-[[(6E,10E)-16,18-dihydroxy-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide has a molecular weight of 472.58 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6E,10E)-16,18-dihydroxy-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide is sourced from PubChem (CID 159728435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).