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

C17H19N3O4 — CID 25196735

IUPAC4-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxybutanamide
SMILESO=C(CCCNC(=O)C(=O)c1cn2c3c(cccc13)CCC2)NO
InChIInChI=1S/C17H19N3O4/c21-14(19-24)7-2-8-18-17(23)16(22)13-10-20-9-3-5-11-4-1-6-12(13)15(11)20/h1,4,6,10,24H,2-3,5,7-9H2,(H,18,23)(H,19,21)
InChIKeyWAFYQXMJDRSPSG-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.17
Rot. Bonds6

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

4-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxybutanamide (PubChem CID 25196735) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxybutanamide.

Molecular Properties

Compound Name4-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxybutanamide
PubChem CID25196735
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name4-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxybutanamide
SMILESO=C(CCCNC(=O)C(=O)c1cn2c3c(cccc13)CCC2)NO
InChIInChI=1S/C17H19N3O4/c21-14(19-24)7-2-8-18-17(23)16(22)13-10-20-9-3-5-11-4-1-6-12(13)15(11)20/h1,4,6,10,24H,2-3,5,7-9H2,(H,18,23)(H,19,21)
InChIKeyWAFYQXMJDRSPSG-UHFFFAOYSA-N
XLogP1.17
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.17
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxybutanamide?
The IUPAC name of 4-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxybutanamide (CID 25196735) is 4-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxybutanamide.
What is the SMILES notation for 4-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxybutanamide?
The canonical SMILES for 4-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxybutanamide is O=C(CCCNC(=O)C(=O)c1cn2c3c(cccc13)CCC2)NO.
What is the InChIKey of 4-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxybutanamide?
The InChIKey is WAFYQXMJDRSPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c21-14(19-24)7-2-8-18-17(23)16(22)13-10-20-9-3-5-11-4-1-6-12(13)15(11)20/h1,4,6,10,24H,2-3,5,7-9H2,(H,18,23)(H,19,21).
What are the key properties of 4-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxybutanamide?
4-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxybutanamide has a molecular weight of 329.36 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxybutanamide is sourced from PubChem (CID 25196735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).