N-[2-[[2-methoxy-6-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-3-pyridinyl]methylamino]ethyl]acetamide

C26H29N3O2 — CID 138632854

IUPACN-[2-[[2-methoxy-6-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-3-pyridinyl]methylamino]ethyl]acetamide
SMILESCOc1nc(/C=C/c2cccc(-c3ccccc3)c2C)ccc1CNCCNC(C)=O
InChIInChI=1S/C26H29N3O2/c1-19-21(10-7-11-25(19)22-8-5-4-6-9-22)12-14-24-15-13-23(26(29-24)31-3)18-27-16-17-28-20(2)30/h4-15,27H,16-18H2,1-3H3,(H,28,30)/b14-12+
InChIKeyHVUGAVDSJDKPSB-WYMLVPIESA-N
MW415.54 g/mol
LogP4.46
Rot. Bonds9

About N-[2-[[2-methoxy-6-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-3-pyridinyl]methylamino]ethyl]acetamide

N-[2-[[2-methoxy-6-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-3-pyridinyl]methylamino]ethyl]acetamide (PubChem CID 138632854) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[2-[[2-methoxy-6-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-3-pyridinyl]methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-methoxy-6-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-3-pyridinyl]methylamino]ethyl]acetamide
PubChem CID138632854
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-[2-[[2-methoxy-6-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-3-pyridinyl]methylamino]ethyl]acetamide
SMILESCOc1nc(/C=C/c2cccc(-c3ccccc3)c2C)ccc1CNCCNC(C)=O
InChIInChI=1S/C26H29N3O2/c1-19-21(10-7-11-25(19)22-8-5-4-6-9-22)12-14-24-15-13-23(26(29-24)31-3)18-27-16-17-28-20(2)30/h4-15,27H,16-18H2,1-3H3,(H,28,30)/b14-12+
InChIKeyHVUGAVDSJDKPSB-WYMLVPIESA-N
XLogP4.46
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-[[2-methoxy-6-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-3-pyridinyl]methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[2-methoxy-6-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-3-pyridinyl]methylamino]ethyl]acetamide (CID 138632854) is N-[2-[[2-methoxy-6-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-3-pyridinyl]methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[2-methoxy-6-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-3-pyridinyl]methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[2-methoxy-6-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-3-pyridinyl]methylamino]ethyl]acetamide is COc1nc(/C=C/c2cccc(-c3ccccc3)c2C)ccc1CNCCNC(C)=O.
What is the InChIKey of N-[2-[[2-methoxy-6-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-3-pyridinyl]methylamino]ethyl]acetamide?
The InChIKey is HVUGAVDSJDKPSB-WYMLVPIESA-N. The full InChI is InChI=1S/C26H29N3O2/c1-19-21(10-7-11-25(19)22-8-5-4-6-9-22)12-14-24-15-13-23(26(29-24)31-3)18-27-16-17-28-20(2)30/h4-15,27H,16-18H2,1-3H3,(H,28,30)/b14-12+.
What are the key properties of N-[2-[[2-methoxy-6-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-3-pyridinyl]methylamino]ethyl]acetamide?
N-[2-[[2-methoxy-6-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-3-pyridinyl]methylamino]ethyl]acetamide has a molecular weight of 415.54 g/mol, XLogP of 4.46, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-methoxy-6-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-3-pyridinyl]methylamino]ethyl]acetamide is sourced from PubChem (CID 138632854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).