N-benzyl-2-[[(10E,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]oxyacetamide

C26H27ClN2O6 — CID 123541503

IUPACN-benzyl-2-[[(10E,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]oxyacetamide
SMILESO=C(CONC1=C\c2c(Cl)c(O)cc(O)c2C(=O)OCCC=CCC\C=C\1)NCc1ccccc1
InChIInChI=1S/C26H27ClN2O6/c27-25-20-14-19(29-35-17-23(32)28-16-18-10-6-5-7-11-18)12-8-3-1-2-4-9-13-34-26(33)24(20)21(30)15-22(25)31/h2,4-8,10-12,14-15,29-31H,1,3,9,13,16-17H2,(H,28,32)/b4-2?,12-8+,19-14-
InChIKeyOFOWWMHWBKCADE-RLSAEOSBSA-N
MW498.96 g/mol
LogP4.38
Rot. Bonds6

About N-benzyl-2-[[(10E,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]oxyacetamide

N-benzyl-2-[[(10E,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]oxyacetamide (PubChem CID 123541503) has the molecular formula C26H27ClN2O6 and a molecular weight of 498.96 g/mol. Its IUPAC name is N-benzyl-2-[[(10E,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]oxyacetamide.

Molecular Properties

Compound NameN-benzyl-2-[[(10E,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]oxyacetamide
PubChem CID123541503
Molecular FormulaC26H27ClN2O6
Molecular Weight498.96 g/mol
Exact Mass498.16
IUPAC NameN-benzyl-2-[[(10E,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]oxyacetamide
SMILESO=C(CONC1=C\c2c(Cl)c(O)cc(O)c2C(=O)OCCC=CCC\C=C\1)NCc1ccccc1
InChIInChI=1S/C26H27ClN2O6/c27-25-20-14-19(29-35-17-23(32)28-16-18-10-6-5-7-11-18)12-8-3-1-2-4-9-13-34-26(33)24(20)21(30)15-22(25)31/h2,4-8,10-12,14-15,29-31H,1,3,9,13,16-17H2,(H,28,32)/b4-2?,12-8+,19-14-
InChIKeyOFOWWMHWBKCADE-RLSAEOSBSA-N
XLogP4.38
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.96
LogP ≤ 54.38
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-benzyl-2-[[(10E,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]oxyacetamide with MolForge

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Related Compounds

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-[[(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
benzene;(6E,10E)-15-chloro-16,18-dihydroxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione
CID 143627522
N-benzyl-2-[(Z)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;N-benzyl-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]oxyacetamide;2-[(Z)-[(6E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxy-N,N-di(propan-2-yl)acetamide
CID 123588892
N-benzyl-2-[2-(benzylamino)-2-oxoethoxy]acetamide
CID 2322352
2-[2-(benzylamino)-2-oxoethoxy]-5-chlorobenzoic acid
CID 45417869
N-benzyl-2-(4-chloro-3-ethylphenoxy)acetamide
CID 7642627
N-(2-hydroxyethyl)-2-[(Z)-[(6E,10E)-16-hydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetamide
CID 143835784
[2-(benzylamino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2489076
N-benzyl-2-(3-ethoxyphenoxy)acetamide
CID 112977703
N-benzyl-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide
CID 7701233
N-benzyl-2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 171617266

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[(10E,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]oxyacetamide?
The IUPAC name of N-benzyl-2-[[(10E,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]oxyacetamide (CID 123541503) is N-benzyl-2-[[(10E,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]oxyacetamide.
What is the SMILES notation for N-benzyl-2-[[(10E,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]oxyacetamide?
The canonical SMILES for N-benzyl-2-[[(10E,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]oxyacetamide is O=C(CONC1=C\c2c(Cl)c(O)cc(O)c2C(=O)OCCC=CCC\C=C\1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[[(10E,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]oxyacetamide?
The InChIKey is OFOWWMHWBKCADE-RLSAEOSBSA-N. The full InChI is InChI=1S/C26H27ClN2O6/c27-25-20-14-19(29-35-17-23(32)28-16-18-10-6-5-7-11-18)12-8-3-1-2-4-9-13-34-26(33)24(20)21(30)15-22(25)31/h2,4-8,10-12,14-15,29-31H,1,3,9,13,16-17H2,(H,28,32)/b4-2?,12-8+,19-14-.
What are the key properties of N-benzyl-2-[[(10E,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]oxyacetamide?
N-benzyl-2-[[(10E,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]oxyacetamide has a molecular weight of 498.96 g/mol, XLogP of 4.38, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[(10E,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]oxyacetamide is sourced from PubChem (CID 123541503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).