N-hydroxy-6-[(12S,15Z)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(21),4,6,8,15,17,19-heptaen-12-yl]hexanamide

C25H30N2O6 — CID 25227504

IUPACN-hydroxy-6-[(12S,15Z)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(21),4,6,8,15,17,19-heptaen-12-yl]hexanamide
SMILESCOc1cc2cc(c1)COc1ccccc1NC(=O)[C@H](CCCCCC(=O)NO)OC/C=C\2
InChIInChI=1S/C25H30N2O6/c1-31-20-15-18-8-7-13-32-23(11-3-2-4-12-24(28)27-30)25(29)26-21-9-5-6-10-22(21)33-17-19(14-18)16-20/h5-10,14-16,23,30H,2-4,11-13,17H2,1H3,(H,26,29)(H,27,28)/b8-7-/t23-/m0/s1
InChIKeyLMOIMHSPFQECJG-YLNCNTMDSA-N
MW454.52 g/mol
LogP4.08
Rot. Bonds7

About N-hydroxy-6-[(12S,15Z)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(21),4,6,8,15,17,19-heptaen-12-yl]hexanamide

N-hydroxy-6-[(12S,15Z)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(21),4,6,8,15,17,19-heptaen-12-yl]hexanamide (PubChem CID 25227504) has the molecular formula C25H30N2O6 and a molecular weight of 454.52 g/mol. Its IUPAC name is N-hydroxy-6-[(12S,15Z)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(21),4,6,8,15,17,19-heptaen-12-yl]hexanamide.

Molecular Properties

Compound NameN-hydroxy-6-[(12S,15Z)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(21),4,6,8,15,17,19-heptaen-12-yl]hexanamide
PubChem CID25227504
Molecular FormulaC25H30N2O6
Molecular Weight454.52 g/mol
Exact Mass454.21
IUPAC NameN-hydroxy-6-[(12S,15Z)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(21),4,6,8,15,17,19-heptaen-12-yl]hexanamide
SMILESCOc1cc2cc(c1)COc1ccccc1NC(=O)[C@H](CCCCCC(=O)NO)OC/C=C\2
InChIInChI=1S/C25H30N2O6/c1-31-20-15-18-8-7-13-32-23(11-3-2-4-12-24(28)27-30)25(29)26-21-9-5-6-10-22(21)33-17-19(14-18)16-20/h5-10,14-16,23,30H,2-4,11-13,17H2,1H3,(H,26,29)(H,27,28)/b8-7-/t23-/m0/s1
InChIKeyLMOIMHSPFQECJG-YLNCNTMDSA-N
XLogP4.08
TPSA106.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-[(12S,15Z)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(21),4,6,8,15,17,19-heptaen-12-yl]hexanamide?
The IUPAC name of N-hydroxy-6-[(12S,15Z)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(21),4,6,8,15,17,19-heptaen-12-yl]hexanamide (CID 25227504) is N-hydroxy-6-[(12S,15Z)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(21),4,6,8,15,17,19-heptaen-12-yl]hexanamide.
What is the SMILES notation for N-hydroxy-6-[(12S,15Z)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(21),4,6,8,15,17,19-heptaen-12-yl]hexanamide?
The canonical SMILES for N-hydroxy-6-[(12S,15Z)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(21),4,6,8,15,17,19-heptaen-12-yl]hexanamide is COc1cc2cc(c1)COc1ccccc1NC(=O)[C@H](CCCCCC(=O)NO)OC/C=C\2.
What is the InChIKey of N-hydroxy-6-[(12S,15Z)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(21),4,6,8,15,17,19-heptaen-12-yl]hexanamide?
The InChIKey is LMOIMHSPFQECJG-YLNCNTMDSA-N. The full InChI is InChI=1S/C25H30N2O6/c1-31-20-15-18-8-7-13-32-23(11-3-2-4-12-24(28)27-30)25(29)26-21-9-5-6-10-22(21)33-17-19(14-18)16-20/h5-10,14-16,23,30H,2-4,11-13,17H2,1H3,(H,26,29)(H,27,28)/b8-7-/t23-/m0/s1.
What are the key properties of N-hydroxy-6-[(12S,15Z)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(21),4,6,8,15,17,19-heptaen-12-yl]hexanamide?
N-hydroxy-6-[(12S,15Z)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(21),4,6,8,15,17,19-heptaen-12-yl]hexanamide has a molecular weight of 454.52 g/mol, XLogP of 4.08, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[(12S,15Z)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(21),4,6,8,15,17,19-heptaen-12-yl]hexanamide is sourced from PubChem (CID 25227504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).