6-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxyhexanamide

C19H23N3O4 — CID 25196733

IUPAC6-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxyhexanamide
SMILESO=C(CCCCCNC(=O)C(=O)c1cn2c3c(cccc13)CCC2)NO
InChIInChI=1S/C19H23N3O4/c23-16(21-26)9-2-1-3-10-20-19(25)18(24)15-12-22-11-5-7-13-6-4-8-14(15)17(13)22/h4,6,8,12,26H,1-3,5,7,9-11H2,(H,20,25)(H,21,23)
InChIKeyYNHWIAIXSNSJRH-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.95
Rot. Bonds8

About 6-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxyhexanamide

6-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxyhexanamide (PubChem CID 25196733) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 6-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxyhexanamide
PubChem CID25196733
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name6-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxyhexanamide
SMILESO=C(CCCCCNC(=O)C(=O)c1cn2c3c(cccc13)CCC2)NO
InChIInChI=1S/C19H23N3O4/c23-16(21-26)9-2-1-3-10-20-19(25)18(24)15-12-22-11-5-7-13-6-4-8-14(15)17(13)22/h4,6,8,12,26H,1-3,5,7,9-11H2,(H,20,25)(H,21,23)
InChIKeyYNHWIAIXSNSJRH-UHFFFAOYSA-N
XLogP1.95
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxyhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxyhexanamide?
The IUPAC name of 6-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxyhexanamide (CID 25196733) is 6-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxyhexanamide.
What is the SMILES notation for 6-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxyhexanamide?
The canonical SMILES for 6-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxyhexanamide is O=C(CCCCCNC(=O)C(=O)c1cn2c3c(cccc13)CCC2)NO.
What is the InChIKey of 6-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxyhexanamide?
The InChIKey is YNHWIAIXSNSJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c23-16(21-26)9-2-1-3-10-20-19(25)18(24)15-12-22-11-5-7-13-6-4-8-14(15)17(13)22/h4,6,8,12,26H,1-3,5,7,9-11H2,(H,20,25)(H,21,23).
What are the key properties of 6-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxyhexanamide?
6-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxyhexanamide has a molecular weight of 357.41 g/mol, XLogP of 1.95, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxyhexanamide is sourced from PubChem (CID 25196733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).