N-[3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)propyl]butanamide

C18H24N2O — CID 16743295

IUPACN-[3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)propyl]butanamide
SMILESCCCC(=O)NCCCc1cn2c3c(cccc13)CCC2
InChIInChI=1S/C18H24N2O/c1-2-6-17(21)19-11-4-8-15-13-20-12-5-9-14-7-3-10-16(15)18(14)20/h3,7,10,13H,2,4-6,8-9,11-12H2,1H3,(H,19,21)
InChIKeyFGNIHHCCXIPQRY-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.44
Rot. Bonds6

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

N-[3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)propyl]butanamide (PubChem CID 16743295) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)propyl]butanamide.

Molecular Properties

Compound NameN-[3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)propyl]butanamide
PubChem CID16743295
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)propyl]butanamide
SMILESCCCC(=O)NCCCc1cn2c3c(cccc13)CCC2
InChIInChI=1S/C18H24N2O/c1-2-6-17(21)19-11-4-8-15-13-20-12-5-9-14-7-3-10-16(15)18(14)20/h3,7,10,13H,2,4-6,8-9,11-12H2,1H3,(H,19,21)
InChIKeyFGNIHHCCXIPQRY-UHFFFAOYSA-N
XLogP3.44
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)propyl]butanamide?
The IUPAC name of N-[3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)propyl]butanamide (CID 16743295) is N-[3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)propyl]butanamide.
What is the SMILES notation for N-[3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)propyl]butanamide?
The canonical SMILES for N-[3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)propyl]butanamide is CCCC(=O)NCCCc1cn2c3c(cccc13)CCC2.
What is the InChIKey of N-[3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)propyl]butanamide?
The InChIKey is FGNIHHCCXIPQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-6-17(21)19-11-4-8-15-13-20-12-5-9-14-7-3-10-16(15)18(14)20/h3,7,10,13H,2,4-6,8-9,11-12H2,1H3,(H,19,21).
What are the key properties of N-[3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)propyl]butanamide?
N-[3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)propyl]butanamide has a molecular weight of 284.40 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)propyl]butanamide is sourced from PubChem (CID 16743295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).