7-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxyheptanamide

C20H25N3O4 — CID 25196737

IUPAC7-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxyheptanamide
SMILESO=C(CCCCCCNC(=O)C(=O)c1cn2c3c(cccc13)CCC2)NO
InChIInChI=1S/C20H25N3O4/c24-17(22-27)10-3-1-2-4-11-21-20(26)19(25)16-13-23-12-6-8-14-7-5-9-15(16)18(14)23/h5,7,9,13,27H,1-4,6,8,10-12H2,(H,21,26)(H,22,24)
InChIKeyFTQMHSQPUYFMNX-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.34
Rot. Bonds9

About 7-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxyheptanamide

7-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxyheptanamide (PubChem CID 25196737) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 7-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxyheptanamide
PubChem CID25196737
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name7-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxyheptanamide
SMILESO=C(CCCCCCNC(=O)C(=O)c1cn2c3c(cccc13)CCC2)NO
InChIInChI=1S/C20H25N3O4/c24-17(22-27)10-3-1-2-4-11-21-20(26)19(25)16-13-23-12-6-8-14-7-5-9-15(16)18(14)23/h5,7,9,13,27H,1-4,6,8,10-12H2,(H,21,26)(H,22,24)
InChIKeyFTQMHSQPUYFMNX-UHFFFAOYSA-N
XLogP2.34
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.34
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 7-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxyheptanamide?
The IUPAC name of 7-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxyheptanamide (CID 25196737) is 7-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxyheptanamide.
What is the SMILES notation for 7-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxyheptanamide?
The canonical SMILES for 7-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxyheptanamide is O=C(CCCCCCNC(=O)C(=O)c1cn2c3c(cccc13)CCC2)NO.
What is the InChIKey of 7-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxyheptanamide?
The InChIKey is FTQMHSQPUYFMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c24-17(22-27)10-3-1-2-4-11-21-20(26)19(25)16-13-23-12-6-8-14-7-5-9-15(16)18(14)23/h5,7,9,13,27H,1-4,6,8,10-12H2,(H,21,26)(H,22,24).
What are the key properties of 7-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxyheptanamide?
7-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxyheptanamide has a molecular weight of 371.44 g/mol, XLogP of 2.34, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxyheptanamide is sourced from PubChem (CID 25196737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).