N-hydroxy-6-(19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)hexanamide

C25H32N2O6 — CID 25066549

IUPACN-hydroxy-6-(19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)hexanamide
SMILESCOc1cc2cc(c1)COc1ccccc1NC(=O)C(CCCCCC(=O)NO)OCCC2
InChIInChI=1S/C25H32N2O6/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/h5-6,9-10,14-16,23,30H,2-4,7-8,11-13,17H2,1H3,(H,26,29)(H,27,28)
InChIKeyHIEFOIISQBSAEQ-UHFFFAOYSA-N
MW456.54 g/mol
LogP4.00
Rot. Bonds7

About N-hydroxy-6-(19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)hexanamide

N-hydroxy-6-(19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)hexanamide (PubChem CID 25066549) has the molecular formula C25H32N2O6 and a molecular weight of 456.54 g/mol. Its IUPAC name is N-hydroxy-6-(19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)hexanamide.

Molecular Properties

Compound NameN-hydroxy-6-(19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)hexanamide
PubChem CID25066549
Molecular FormulaC25H32N2O6
Molecular Weight456.54 g/mol
Exact Mass456.23
IUPAC NameN-hydroxy-6-(19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)hexanamide
SMILESCOc1cc2cc(c1)COc1ccccc1NC(=O)C(CCCCCC(=O)NO)OCCC2
InChIInChI=1S/C25H32N2O6/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/h5-6,9-10,14-16,23,30H,2-4,7-8,11-13,17H2,1H3,(H,26,29)(H,27,28)
InChIKeyHIEFOIISQBSAEQ-UHFFFAOYSA-N
XLogP4.00
TPSA106.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.00
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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Related Compounds

(5S)-5-amino-N-hydroxy-6-[(12R)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl]hexanamide
CID 25064267
(12R)-12-[(2R)-2-aminobutyl]-19-methoxy-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-11-one;(3R)-3-amino-N-hydroxy-4-[(12R)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl]butanamide;(3R)-3-amino-N-hydroxy-3-[(12R)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl]propanamide;(3S)-3-amino-N-hydroxy-3-[(12R)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl]propanamide
CID 159685532
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
methyl 6-(3-oxo-5,12-dioxa-2-azabicyclo[11.4.0]heptadeca-1(17),7,13,15-tetraen-4-yl)hexanoate
CID 91480483
(15Z)-19-methoxy-12-(2-methylpentan-2-yl)-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(21),4,6,8,15,17,19-heptaen-11-one
CID 145473737
6-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-hydroxyhexanamide
CID 16660022
2-[(12S)-2,11-dioxo-13-oxa-3,10,19-triazatetracyclo[16.7.0.04,9.020,25]pentacosa-1(18),4,6,8,20,22,24-heptaen-12-yl]-N-hydroxyacetamide
CID 88995325
N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]pentanamide
CID 110404623
N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]oxolane-2-carboxamide
CID 110404626
N-[(4-methoxyphenyl)methyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 7481010
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9426452
(4S)-4-(4-aminobutyl)-12-oxa-2,5-diazabicyclo[11.4.0]heptadeca-1(17),13,15-triene-3,6-dione
CID 58756788

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-(19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)hexanamide?
The IUPAC name of N-hydroxy-6-(19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)hexanamide (CID 25066549) is N-hydroxy-6-(19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)hexanamide.
What is the SMILES notation for N-hydroxy-6-(19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)hexanamide?
The canonical SMILES for N-hydroxy-6-(19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)hexanamide is COc1cc2cc(c1)COc1ccccc1NC(=O)C(CCCCCC(=O)NO)OCCC2.
What is the InChIKey of N-hydroxy-6-(19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)hexanamide?
The InChIKey is HIEFOIISQBSAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O6/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/h5-6,9-10,14-16,23,30H,2-4,7-8,11-13,17H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-hydroxy-6-(19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)hexanamide?
N-hydroxy-6-(19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)hexanamide has a molecular weight of 456.54 g/mol, XLogP of 4.00, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-(19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)hexanamide is sourced from PubChem (CID 25066549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).