N-oxido-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-1-amine

C30H40N3O2- — CID 87768959

IUPACN-oxido-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCCCCCCCCCCCc1noc(-c2cccc(CN([O-])c3cccc4c3CCCC4)c2)n1
InChIInChI=1S/C30H40N3O2/c1-2-3-4-5-6-7-8-9-10-21-29-31-30(35-32-29)26-18-13-15-24(22-26)23-33(34)28-20-14-17-25-16-11-12-19-27(25)28/h13-15,17-18,20,22H,2-12,16,19,21,23H2,1H3/q-1
InChIKeyFTXCULUVZZJDCG-UHFFFAOYSA-N
MW474.67 g/mol
LogP8.19
Rot. Bonds14

About N-oxido-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-1-amine

N-oxido-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 87768959) has the molecular formula C30H40N3O2- and a molecular weight of 474.67 g/mol. Its IUPAC name is N-oxido-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-oxido-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID87768959
Molecular FormulaC30H40N3O2-
Molecular Weight474.67 g/mol
Exact Mass474.31
IUPAC NameN-oxido-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCCCCCCCCCCCc1noc(-c2cccc(CN([O-])c3cccc4c3CCCC4)c2)n1
InChIInChI=1S/C30H40N3O2/c1-2-3-4-5-6-7-8-9-10-21-29-31-30(35-32-29)26-18-13-15-24(22-26)23-33(34)28-20-14-17-25-16-11-12-19-27(25)28/h13-15,17-18,20,22H,2-12,16,19,21,23H2,1H3/q-1
InChIKeyFTXCULUVZZJDCG-UHFFFAOYSA-N
XLogP8.19
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.67
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-oxido-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-1-amine 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 N-oxido-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of N-oxido-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-1-amine (CID 87768959) is N-oxido-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-oxido-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-oxido-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-1-amine is CCCCCCCCCCCc1noc(-c2cccc(CN([O-])c3cccc4c3CCCC4)c2)n1.
What is the InChIKey of N-oxido-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is FTXCULUVZZJDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N3O2/c1-2-3-4-5-6-7-8-9-10-21-29-31-30(35-32-29)26-18-13-15-24(22-26)23-33(34)28-20-14-17-25-16-11-12-19-27(25)28/h13-15,17-18,20,22H,2-12,16,19,21,23H2,1H3/q-1.
What are the key properties of N-oxido-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
N-oxido-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 474.67 g/mol, XLogP of 8.19, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxido-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 87768959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).