5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxypentanamide

C18H21N3O4 — CID 59535541

IUPAC5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxypentanamide
SMILESO=C(CCCCNC(=O)C(=O)c1cn2c3c(cccc13)CCC2)NO
InChIInChI=1S/C18H21N3O4/c22-15(20-25)8-1-2-9-19-18(24)17(23)14-11-21-10-4-6-12-5-3-7-13(14)16(12)21/h3,5,7,11,25H,1-2,4,6,8-10H2,(H,19,24)(H,20,22)
InChIKeyJFRWUVXHGRLJSN-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.56
Rot. Bonds7

About 5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxypentanamide

5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxypentanamide (PubChem CID 59535541) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxypentanamide.

Molecular Properties

Compound Name5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxypentanamide
PubChem CID59535541
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxypentanamide
SMILESO=C(CCCCNC(=O)C(=O)c1cn2c3c(cccc13)CCC2)NO
InChIInChI=1S/C18H21N3O4/c22-15(20-25)8-1-2-9-19-18(24)17(23)14-11-21-10-4-6-12-5-3-7-13(14)16(12)21/h3,5,7,11,25H,1-2,4,6,8-10H2,(H,19,24)(H,20,22)
InChIKeyJFRWUVXHGRLJSN-UHFFFAOYSA-N
XLogP1.56
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.56
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 5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxypentanamide?
The IUPAC name of 5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxypentanamide (CID 59535541) is 5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxypentanamide.
What is the SMILES notation for 5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxypentanamide?
The canonical SMILES for 5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxypentanamide is O=C(CCCCNC(=O)C(=O)c1cn2c3c(cccc13)CCC2)NO.
What is the InChIKey of 5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxypentanamide?
The InChIKey is JFRWUVXHGRLJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c22-15(20-25)8-1-2-9-19-18(24)17(23)14-11-21-10-4-6-12-5-3-7-13(14)16(12)21/h3,5,7,11,25H,1-2,4,6,8-10H2,(H,19,24)(H,20,22).
What are the key properties of 5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxypentanamide?
5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxypentanamide has a molecular weight of 343.38 g/mol, XLogP of 1.56, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxypentanamide is sourced from PubChem (CID 59535541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).