6-(8-amino-19-methoxy-11-oxo-3-oxa-10,13-diazatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)-N-hydroxyhexanamide

C25H34N4O5 — CID 59316159

IUPAC6-(8-amino-19-methoxy-11-oxo-3-oxa-10,13-diazatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)-N-hydroxyhexanamide
SMILESCOc1cc2cc(c1)COc1cccc(N)c1NC(=O)C(CCCCCC(=O)NO)NCCC2
InChIInChI=1S/C25H34N4O5/c1-33-19-14-17-7-6-12-27-21(9-3-2-4-11-23(30)29-32)25(31)28-24-20(26)8-5-10-22(24)34-16-18(13-17)15-19/h5,8,10,13-15,21,27,32H,2-4,6-7,9,11-12,16,26H2,1H3,(H,28,31)(H,29,30)
InChIKeyIWFVVTALYRKMHM-UHFFFAOYSA-N
MW470.57 g/mol
LogP3.16
Rot. Bonds7

About 6-(8-amino-19-methoxy-11-oxo-3-oxa-10,13-diazatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)-N-hydroxyhexanamide

6-(8-amino-19-methoxy-11-oxo-3-oxa-10,13-diazatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)-N-hydroxyhexanamide (PubChem CID 59316159) has the molecular formula C25H34N4O5 and a molecular weight of 470.57 g/mol. Its IUPAC name is 6-(8-amino-19-methoxy-11-oxo-3-oxa-10,13-diazatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-(8-amino-19-methoxy-11-oxo-3-oxa-10,13-diazatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)-N-hydroxyhexanamide
PubChem CID59316159
Molecular FormulaC25H34N4O5
Molecular Weight470.57 g/mol
Exact Mass470.25
IUPAC Name6-(8-amino-19-methoxy-11-oxo-3-oxa-10,13-diazatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)-N-hydroxyhexanamide
SMILESCOc1cc2cc(c1)COc1cccc(N)c1NC(=O)C(CCCCCC(=O)NO)NCCC2
InChIInChI=1S/C25H34N4O5/c1-33-19-14-17-7-6-12-27-21(9-3-2-4-11-23(30)29-32)25(31)28-24-20(26)8-5-10-22(24)34-16-18(13-17)15-19/h5,8,10,13-15,21,27,32H,2-4,6-7,9,11-12,16,26H2,1H3,(H,28,31)(H,29,30)
InChIKeyIWFVVTALYRKMHM-UHFFFAOYSA-N
XLogP3.16
TPSA134.94 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 53.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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 6-(8-amino-19-methoxy-11-oxo-3-oxa-10,13-diazatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)-N-hydroxyhexanamide?
The IUPAC name of 6-(8-amino-19-methoxy-11-oxo-3-oxa-10,13-diazatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)-N-hydroxyhexanamide (CID 59316159) is 6-(8-amino-19-methoxy-11-oxo-3-oxa-10,13-diazatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)-N-hydroxyhexanamide.
What is the SMILES notation for 6-(8-amino-19-methoxy-11-oxo-3-oxa-10,13-diazatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)-N-hydroxyhexanamide?
The canonical SMILES for 6-(8-amino-19-methoxy-11-oxo-3-oxa-10,13-diazatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)-N-hydroxyhexanamide is COc1cc2cc(c1)COc1cccc(N)c1NC(=O)C(CCCCCC(=O)NO)NCCC2.
What is the InChIKey of 6-(8-amino-19-methoxy-11-oxo-3-oxa-10,13-diazatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)-N-hydroxyhexanamide?
The InChIKey is IWFVVTALYRKMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O5/c1-33-19-14-17-7-6-12-27-21(9-3-2-4-11-23(30)29-32)25(31)28-24-20(26)8-5-10-22(24)34-16-18(13-17)15-19/h5,8,10,13-15,21,27,32H,2-4,6-7,9,11-12,16,26H2,1H3,(H,28,31)(H,29,30).
What are the key properties of 6-(8-amino-19-methoxy-11-oxo-3-oxa-10,13-diazatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)-N-hydroxyhexanamide?
6-(8-amino-19-methoxy-11-oxo-3-oxa-10,13-diazatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)-N-hydroxyhexanamide has a molecular weight of 470.57 g/mol, XLogP of 3.16, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-amino-19-methoxy-11-oxo-3-oxa-10,13-diazatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)-N-hydroxyhexanamide is sourced from PubChem (CID 59316159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).