N-[(E)-2-[(9E)-6,16-dihydroxy-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]ethylideneamino]octanamide

C26H38N2O5 — CID 10139333

IUPACN-[(E)-2-[(9E)-6,16-dihydroxy-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]ethylideneamino]octanamide
SMILESCCCCCCCC(=O)N/N=C/CC1CC(O)C(C)C/C=C/Cc2cccc(O)c2C(=O)O1
InChIInChI=1S/C26H38N2O5/c1-3-4-5-6-7-15-24(31)28-27-17-16-21-18-23(30)19(2)11-8-9-12-20-13-10-14-22(29)25(20)26(32)33-21/h8-10,13-14,17,19,21,23,29-30H,3-7,11-12,15-16,18H2,1-2H3,(H,28,31)/b9-8+,27-17+
InChIKeyUTFGRDCWHDDURM-AWWZCKKOSA-N
MW458.60 g/mol
LogP4.66
Rot. Bonds9

About N-[(E)-2-[(9E)-6,16-dihydroxy-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]ethylideneamino]octanamide

N-[(E)-2-[(9E)-6,16-dihydroxy-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]ethylideneamino]octanamide (PubChem CID 10139333) has the molecular formula C26H38N2O5 and a molecular weight of 458.60 g/mol. Its IUPAC name is N-[(E)-2-[(9E)-6,16-dihydroxy-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]ethylideneamino]octanamide.

Molecular Properties

Compound NameN-[(E)-2-[(9E)-6,16-dihydroxy-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]ethylideneamino]octanamide
PubChem CID10139333
Molecular FormulaC26H38N2O5
Molecular Weight458.60 g/mol
Exact Mass458.28
IUPAC NameN-[(E)-2-[(9E)-6,16-dihydroxy-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]ethylideneamino]octanamide
SMILESCCCCCCCC(=O)N/N=C/CC1CC(O)C(C)C/C=C/Cc2cccc(O)c2C(=O)O1
InChIInChI=1S/C26H38N2O5/c1-3-4-5-6-7-15-24(31)28-27-17-16-21-18-23(30)19(2)11-8-9-12-20-13-10-14-22(29)25(20)26(32)33-21/h8-10,13-14,17,19,21,23,29-30H,3-7,11-12,15-16,18H2,1-2H3,(H,28,31)/b9-8+,27-17+
InChIKeyUTFGRDCWHDDURM-AWWZCKKOSA-N
XLogP4.66
TPSA108.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(E)-2-[(9E)-6,16-dihydroxy-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]ethylideneamino]octanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-3-[(9Z)-6,16-dihydroxy-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]prop-1-enyl]heptanamide
CID 56942845
[(9Z)-4-[(E)-3-(hexoxycarbonylamino)prop-2-enyl]-16-hydroxy-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-6-yl] benzoate
CID 56943004
prop-2-enyl (E)-4-[(4S,6R,7S,9E)-6,7,16-trimethyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(16),9,12,14-tetraen-4-yl]but-2-enoate
CID 59093298
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269
N-[(2-hydroxyphenyl)methylideneamino]octanamide
CID 3393777
N-(2-phenylethylideneamino)nonanamide
CID 3280851
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]octanamide
CID 98462475
N-(3-phenylpropylideneamino)dodecanamide
CID 3728089
N-(cyclohex-3-en-1-ylmethylideneamino)hexanamide
CID 5053331
N-(butylideneamino)heptanamide
CID 4641242
N-(nonylideneamino)decanamide
CID 5084396
N-(nonylideneamino)octanamide
CID 4295690

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-[(9E)-6,16-dihydroxy-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]ethylideneamino]octanamide?
The IUPAC name of N-[(E)-2-[(9E)-6,16-dihydroxy-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]ethylideneamino]octanamide (CID 10139333) is N-[(E)-2-[(9E)-6,16-dihydroxy-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]ethylideneamino]octanamide.
What is the SMILES notation for N-[(E)-2-[(9E)-6,16-dihydroxy-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]ethylideneamino]octanamide?
The canonical SMILES for N-[(E)-2-[(9E)-6,16-dihydroxy-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]ethylideneamino]octanamide is CCCCCCCC(=O)N/N=C/CC1CC(O)C(C)C/C=C/Cc2cccc(O)c2C(=O)O1.
What is the InChIKey of N-[(E)-2-[(9E)-6,16-dihydroxy-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]ethylideneamino]octanamide?
The InChIKey is UTFGRDCWHDDURM-AWWZCKKOSA-N. The full InChI is InChI=1S/C26H38N2O5/c1-3-4-5-6-7-15-24(31)28-27-17-16-21-18-23(30)19(2)11-8-9-12-20-13-10-14-22(29)25(20)26(32)33-21/h8-10,13-14,17,19,21,23,29-30H,3-7,11-12,15-16,18H2,1-2H3,(H,28,31)/b9-8+,27-17+.
What are the key properties of N-[(E)-2-[(9E)-6,16-dihydroxy-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]ethylideneamino]octanamide?
N-[(E)-2-[(9E)-6,16-dihydroxy-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]ethylideneamino]octanamide has a molecular weight of 458.60 g/mol, XLogP of 4.66, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-[(9E)-6,16-dihydroxy-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]ethylideneamino]octanamide is sourced from PubChem (CID 10139333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).