2-(4-phenylphenyl)-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine

C34H43N3O — CID 67186816

IUPAC2-(4-phenylphenyl)-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine
SMILESCCCCCCCCCCCc1noc(-c2cccc(CNCCc3ccc(-c4ccccc4)cc3)c2)n1
InChIInChI=1S/C34H43N3O/c1-2-3-4-5-6-7-8-9-13-19-33-36-34(38-37-33)32-18-14-15-29(26-32)27-35-25-24-28-20-22-31(23-21-28)30-16-11-10-12-17-30/h10-12,14-18,20-23,26,35H,2-9,13,19,24-25,27H2,1H3
InChIKeySQUWUJOKZCYDQJ-UHFFFAOYSA-N
MW509.74 g/mol
LogP8.81
Rot. Bonds17

About 2-(4-phenylphenyl)-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine

2-(4-phenylphenyl)-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine (PubChem CID 67186816) has the molecular formula C34H43N3O and a molecular weight of 509.74 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-(4-phenylphenyl)-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine
PubChem CID67186816
Molecular FormulaC34H43N3O
Molecular Weight509.74 g/mol
Exact Mass509.34
IUPAC Name2-(4-phenylphenyl)-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine
SMILESCCCCCCCCCCCc1noc(-c2cccc(CNCCc3ccc(-c4ccccc4)cc3)c2)n1
InChIInChI=1S/C34H43N3O/c1-2-3-4-5-6-7-8-9-13-19-33-36-34(38-37-33)32-18-14-15-29(26-32)27-35-25-24-28-20-22-31(23-21-28)30-16-11-10-12-17-30/h10-12,14-18,20-23,26,35H,2-9,13,19,24-25,27H2,1H3
InChIKeySQUWUJOKZCYDQJ-UHFFFAOYSA-N
XLogP8.81
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.74
LogP ≤ 58.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(3-octyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-2-(4-phenylphenyl)ethanamine
CID 142670534
2-oxo-2-[(3-phenylphenyl)methyl-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]amino]acetic acid
CID 67186319
1-[4-(3-octyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 67187973
N-[[4-(trifluoromethyl)phenyl]methyl]-1-[4-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
CID 67187456
N-[(3-phenylphenyl)methyl]butan-1-amine
CID 143730609
[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methylamino] 2-oxo-3-[4-(trifluoromethyl)phenyl]propanoate
CID 123521284
3-benzyl-5-(4-propylphenyl)-1,2,4-oxadiazole
CID 3359504
N-oxido-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 87768959
N-benzyl-2-(4-propylphenyl)ethanamine
CID 68807440
1-pentadecyl-4-phenylbenzene
CID 57166115
1,3-benzodioxol-5-yl-ethyl-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]azanium
CID 173223190
(1S)-1-(furan-2-yl)-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine
CID 97231350

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine?
The IUPAC name of 2-(4-phenylphenyl)-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine (CID 67186816) is 2-(4-phenylphenyl)-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-(4-phenylphenyl)-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine?
The canonical SMILES for 2-(4-phenylphenyl)-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine is CCCCCCCCCCCc1noc(-c2cccc(CNCCc3ccc(-c4ccccc4)cc3)c2)n1.
What is the InChIKey of 2-(4-phenylphenyl)-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine?
The InChIKey is SQUWUJOKZCYDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N3O/c1-2-3-4-5-6-7-8-9-13-19-33-36-34(38-37-33)32-18-14-15-29(26-32)27-35-25-24-28-20-22-31(23-21-28)30-16-11-10-12-17-30/h10-12,14-18,20-23,26,35H,2-9,13,19,24-25,27H2,1H3.
What are the key properties of 2-(4-phenylphenyl)-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine?
2-(4-phenylphenyl)-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine has a molecular weight of 509.74 g/mol, XLogP of 8.81, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 67186816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).