N-hydroxy-4-[(6-methoxy-15-methyl-16-oxo-10,13,15-triazatetracyclo[11.3.1.03,11.04,9]heptadeca-3(11),4(9),5,7-tetraen-10-yl)methyl]benzamide

C24H26N4O4 — CID 166835538

IUPACN-hydroxy-4-[(6-methoxy-15-methyl-16-oxo-10,13,15-triazatetracyclo[11.3.1.03,11.04,9]heptadeca-3(11),4(9),5,7-tetraen-10-yl)methyl]benzamide
SMILESCOc1ccc2c(c1)c1c(n2Cc2ccc(C(=O)NO)cc2)CN2CC(C1)C(=O)N(C)C2
InChIInChI=1S/C24H26N4O4/c1-26-14-27-12-17(24(26)30)9-19-20-10-18(32-2)7-8-21(20)28(22(19)13-27)11-15-3-5-16(6-4-15)23(29)25-31/h3-8,10,17,31H,9,11-14H2,1-2H3,(H,25,29)
InChIKeyMMIITCWJRDTLAS-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.22
Rot. Bonds4

About N-hydroxy-4-[(6-methoxy-15-methyl-16-oxo-10,13,15-triazatetracyclo[11.3.1.03,11.04,9]heptadeca-3(11),4(9),5,7-tetraen-10-yl)methyl]benzamide

N-hydroxy-4-[(6-methoxy-15-methyl-16-oxo-10,13,15-triazatetracyclo[11.3.1.03,11.04,9]heptadeca-3(11),4(9),5,7-tetraen-10-yl)methyl]benzamide (PubChem CID 166835538) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-hydroxy-4-[(6-methoxy-15-methyl-16-oxo-10,13,15-triazatetracyclo[11.3.1.03,11.04,9]heptadeca-3(11),4(9),5,7-tetraen-10-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(6-methoxy-15-methyl-16-oxo-10,13,15-triazatetracyclo[11.3.1.03,11.04,9]heptadeca-3(11),4(9),5,7-tetraen-10-yl)methyl]benzamide
PubChem CID166835538
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC NameN-hydroxy-4-[(6-methoxy-15-methyl-16-oxo-10,13,15-triazatetracyclo[11.3.1.03,11.04,9]heptadeca-3(11),4(9),5,7-tetraen-10-yl)methyl]benzamide
SMILESCOc1ccc2c(c1)c1c(n2Cc2ccc(C(=O)NO)cc2)CN2CC(C1)C(=O)N(C)C2
InChIInChI=1S/C24H26N4O4/c1-26-14-27-12-17(24(26)30)9-19-20-10-18(32-2)7-8-21(20)28(22(19)13-27)11-15-3-5-16(6-4-15)23(29)25-31/h3-8,10,17,31H,9,11-14H2,1-2H3,(H,25,29)
InChIKeyMMIITCWJRDTLAS-UHFFFAOYSA-N
XLogP2.22
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', '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

N-hydroxy-4-[(6-methyl-4,7-dioxo-3,6,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),13,15,17-tetraen-19-yl)methyl]benzamide
CID 130265519
4-(9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-9-ylmethyl)-N-hydroxybenzamide
CID 118868657
3-[12-hydroxy-8-[(4-methoxyphenyl)methyl]-14-oxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]propanoic acid
CID 123294713
N-hydroxy-4-[[4-methyl-3,6-dioxo-15-(2-piperidin-1-ylethoxy)-4,7,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl]methyl]benzamide
CID 137397845
9-[[4-[(hydroxyamino)methyl]phenyl]methyl]-14-methyl-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-15-one
CID 137397947
4-formyl-9-[[4-(hydroxycarbamoyl)phenyl]methyl]-6-methoxy-N-methyl-N-[3-(prop-2-enoylamino)propyl]-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide
CID 166835518
(15S)-13-(3,3-dihydroxypropyl)-8-[(4-methoxyphenyl)methyl]-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione
CID 134594509
N-hydroxy-4-[[(3R,5S)-4-(4-methoxybenzoyl)-3,5-dimethylpiperazin-1-yl]methyl]benzamide
CID 118367551
4-[(2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)methyl]-N-hydroxybenzamide
CID 71525388
S-[4-[(6-methoxy-3-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl)methyl]phenyl]thiohydroxylamine
CID 170621320
N-hydroxy-4-[(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide
CID 156889610
4-[[3-[2-(butanoylamino)ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
CID 176898096

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(6-methoxy-15-methyl-16-oxo-10,13,15-triazatetracyclo[11.3.1.03,11.04,9]heptadeca-3(11),4(9),5,7-tetraen-10-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(6-methoxy-15-methyl-16-oxo-10,13,15-triazatetracyclo[11.3.1.03,11.04,9]heptadeca-3(11),4(9),5,7-tetraen-10-yl)methyl]benzamide (CID 166835538) is N-hydroxy-4-[(6-methoxy-15-methyl-16-oxo-10,13,15-triazatetracyclo[11.3.1.03,11.04,9]heptadeca-3(11),4(9),5,7-tetraen-10-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(6-methoxy-15-methyl-16-oxo-10,13,15-triazatetracyclo[11.3.1.03,11.04,9]heptadeca-3(11),4(9),5,7-tetraen-10-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(6-methoxy-15-methyl-16-oxo-10,13,15-triazatetracyclo[11.3.1.03,11.04,9]heptadeca-3(11),4(9),5,7-tetraen-10-yl)methyl]benzamide is COc1ccc2c(c1)c1c(n2Cc2ccc(C(=O)NO)cc2)CN2CC(C1)C(=O)N(C)C2.
What is the InChIKey of N-hydroxy-4-[(6-methoxy-15-methyl-16-oxo-10,13,15-triazatetracyclo[11.3.1.03,11.04,9]heptadeca-3(11),4(9),5,7-tetraen-10-yl)methyl]benzamide?
The InChIKey is MMIITCWJRDTLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-26-14-27-12-17(24(26)30)9-19-20-10-18(32-2)7-8-21(20)28(22(19)13-27)11-15-3-5-16(6-4-15)23(29)25-31/h3-8,10,17,31H,9,11-14H2,1-2H3,(H,25,29).
What are the key properties of N-hydroxy-4-[(6-methoxy-15-methyl-16-oxo-10,13,15-triazatetracyclo[11.3.1.03,11.04,9]heptadeca-3(11),4(9),5,7-tetraen-10-yl)methyl]benzamide?
N-hydroxy-4-[(6-methoxy-15-methyl-16-oxo-10,13,15-triazatetracyclo[11.3.1.03,11.04,9]heptadeca-3(11),4(9),5,7-tetraen-10-yl)methyl]benzamide has a molecular weight of 434.50 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(6-methoxy-15-methyl-16-oxo-10,13,15-triazatetracyclo[11.3.1.03,11.04,9]heptadeca-3(11),4(9),5,7-tetraen-10-yl)methyl]benzamide is sourced from PubChem (CID 166835538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).