N-hydroxy-4-[(13-methoxy-4,7-dioxo-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)methyl]benzamide

C26H28N4O5 — CID 118868555

IUPACN-hydroxy-4-[(13-methoxy-4,7-dioxo-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)methyl]benzamide
SMILESCCCN1CC(=O)N2Cc3c(c4cc(OC)ccc4n3Cc3ccc(C(=O)NO)cc3)CC2C1=O
InChIInChI=1S/C26H28N4O5/c1-3-10-28-15-24(31)30-14-23-20(12-22(30)26(28)33)19-11-18(35-2)8-9-21(19)29(23)13-16-4-6-17(7-5-16)25(32)27-34/h4-9,11,22,34H,3,10,12-15H2,1-2H3,(H,27,32)
InChIKeyUUEMIQDAZGLXFD-UHFFFAOYSA-N
MW476.53 g/mol
LogP2.32
Rot. Bonds6

About N-hydroxy-4-[(13-methoxy-4,7-dioxo-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)methyl]benzamide

N-hydroxy-4-[(13-methoxy-4,7-dioxo-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)methyl]benzamide (PubChem CID 118868555) has the molecular formula C26H28N4O5 and a molecular weight of 476.53 g/mol. Its IUPAC name is N-hydroxy-4-[(13-methoxy-4,7-dioxo-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(13-methoxy-4,7-dioxo-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)methyl]benzamide
PubChem CID118868555
Molecular FormulaC26H28N4O5
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC NameN-hydroxy-4-[(13-methoxy-4,7-dioxo-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)methyl]benzamide
SMILESCCCN1CC(=O)N2Cc3c(c4cc(OC)ccc4n3Cc3ccc(C(=O)NO)cc3)CC2C1=O
InChIInChI=1S/C26H28N4O5/c1-3-10-28-15-24(31)30-14-23-20(12-22(30)26(28)33)19-11-18(35-2)8-9-21(19)29(23)13-16-4-6-17(7-5-16)25(32)27-34/h4-9,11,22,34H,3,10,12-15H2,1-2H3,(H,27,32)
InChIKeyUUEMIQDAZGLXFD-UHFFFAOYSA-N
XLogP2.32
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 52.32
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'}

Analyze N-hydroxy-4-[(13-methoxy-4,7-dioxo-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)methyl]benzamide with MolForge

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Related Compounds

Asp-9521
CID 25210792
2,3,4,9-Tetrahydro-6-methoxy-1H-pyrido(3,4-b)indol-1-one
CID 87372
Piperazine, 1-((5-methoxyindol-2-yl)carbonyl)-4-methyl-
CID 206876
N-(1-Isopropylpiperidin-4-YL)-1-(3-methoxybenzyl)-1H-indole-2-carboxamide
CID 6540267
2-(1-Benzyl-5-methoxy-2-methyl-1h-indol-3-yl)acetamide
CID 244154
5-(benzyloxy)-N,1-bis[(3-carbamimidoylphenyl)methyl]-1H-indole-2-carboxamide
CID 10907552
N-(((S)-Hydroxycarbamoyl)-{(R)-1-[4-(2-methyl-quinolin-4-ylmethoxy)-phenyl]-2-oxo-pyrrolidin-3-yl}-methyl)-benzamide
CID 9936625
2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetic Acid
CID 11450564
(5-(1-isopropylpiperidin-4-yloxy)-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl)(morpholino)methanone
CID 11503379
(4,4-difluoropiperidin-1-yl)(5-(1-isopropylpiperidin-4-yloxy)-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl)methanone
CID 11663122
(S)-N8-hydroxy-2-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamido)-N1-(2-(2-phenyl-1H-indol-3-yl)ethyl)octanediamide
CID 11664499
(5-(1-isopropylpiperidin-4-yloxy)-1H-indol-2-yl)(morpholino)methanone
CID 11717680

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(13-methoxy-4,7-dioxo-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(13-methoxy-4,7-dioxo-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)methyl]benzamide (CID 118868555) is N-hydroxy-4-[(13-methoxy-4,7-dioxo-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(13-methoxy-4,7-dioxo-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(13-methoxy-4,7-dioxo-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)methyl]benzamide is CCCN1CC(=O)N2Cc3c(c4cc(OC)ccc4n3Cc3ccc(C(=O)NO)cc3)CC2C1=O.
What is the InChIKey of N-hydroxy-4-[(13-methoxy-4,7-dioxo-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)methyl]benzamide?
The InChIKey is UUEMIQDAZGLXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O5/c1-3-10-28-15-24(31)30-14-23-20(12-22(30)26(28)33)19-11-18(35-2)8-9-21(19)29(23)13-16-4-6-17(7-5-16)25(32)27-34/h4-9,11,22,34H,3,10,12-15H2,1-2H3,(H,27,32).
What are the key properties of N-hydroxy-4-[(13-methoxy-4,7-dioxo-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)methyl]benzamide?
N-hydroxy-4-[(13-methoxy-4,7-dioxo-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)methyl]benzamide has a molecular weight of 476.53 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(13-methoxy-4,7-dioxo-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)methyl]benzamide is sourced from PubChem (CID 118868555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).