N-[2-ethenyl-3-[1-[3-(2-phenylethoxy)anilino]ethenyl]phenyl]acetamide

C26H26N2O2 — CID 142852975

IUPACN-[2-ethenyl-3-[1-[3-(2-phenylethoxy)anilino]ethenyl]phenyl]acetamide
SMILESC=Cc1c(NC(C)=O)cccc1C(=C)Nc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C26H26N2O2/c1-4-24-25(14-9-15-26(24)28-20(3)29)19(2)27-22-12-8-13-23(18-22)30-17-16-21-10-6-5-7-11-21/h4-15,18,27H,1-2,16-17H2,3H3,(H,28,29)
InChIKeyVDUGCGJJSBTFJC-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.99
Rot. Bonds9

About N-[2-ethenyl-3-[1-[3-(2-phenylethoxy)anilino]ethenyl]phenyl]acetamide

N-[2-ethenyl-3-[1-[3-(2-phenylethoxy)anilino]ethenyl]phenyl]acetamide (PubChem CID 142852975) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[2-ethenyl-3-[1-[3-(2-phenylethoxy)anilino]ethenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-ethenyl-3-[1-[3-(2-phenylethoxy)anilino]ethenyl]phenyl]acetamide
PubChem CID142852975
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC NameN-[2-ethenyl-3-[1-[3-(2-phenylethoxy)anilino]ethenyl]phenyl]acetamide
SMILESC=Cc1c(NC(C)=O)cccc1C(=C)Nc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C26H26N2O2/c1-4-24-25(14-9-15-26(24)28-20(3)29)19(2)27-22-12-8-13-23(18-22)30-17-16-21-10-6-5-7-11-21/h4-15,18,27H,1-2,16-17H2,3H3,(H,28,29)
InChIKeyVDUGCGJJSBTFJC-UHFFFAOYSA-N
XLogP5.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-6-[1-[3-(2-phenylethoxy)anilino]ethenyl]phenol
CID 142852821
2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142269
methyl 3-oxo-3-[3-(2-phenylethoxy)anilino]propanoate
CID 28638067
2-[3-(2-phenylethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide
CID 54828312
2-(2-methoxyanilino)-N-[3-(2-phenylethoxy)phenyl]acetamide
CID 54817560
4-chloro-N-[3-(2-phenylethoxy)phenyl]butanamide
CID 17161027
2-(3-methylbutoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142197
N-[3-(2-methoxyethoxy)phenyl]-4-(2-phenylethoxy)benzamide
CID 17169886
2-nitro-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142104
5-bromo-2-(2-phenylethoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086780
2-(2-phenylethoxy)-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154818
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenylethoxy)phenyl]acetamide
CID 54827361

Frequently Asked Questions

What is the IUPAC name of N-[2-ethenyl-3-[1-[3-(2-phenylethoxy)anilino]ethenyl]phenyl]acetamide?
The IUPAC name of N-[2-ethenyl-3-[1-[3-(2-phenylethoxy)anilino]ethenyl]phenyl]acetamide (CID 142852975) is N-[2-ethenyl-3-[1-[3-(2-phenylethoxy)anilino]ethenyl]phenyl]acetamide.
What is the SMILES notation for N-[2-ethenyl-3-[1-[3-(2-phenylethoxy)anilino]ethenyl]phenyl]acetamide?
The canonical SMILES for N-[2-ethenyl-3-[1-[3-(2-phenylethoxy)anilino]ethenyl]phenyl]acetamide is C=Cc1c(NC(C)=O)cccc1C(=C)Nc1cccc(OCCc2ccccc2)c1.
What is the InChIKey of N-[2-ethenyl-3-[1-[3-(2-phenylethoxy)anilino]ethenyl]phenyl]acetamide?
The InChIKey is VDUGCGJJSBTFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-4-24-25(14-9-15-26(24)28-20(3)29)19(2)27-22-12-8-13-23(18-22)30-17-16-21-10-6-5-7-11-21/h4-15,18,27H,1-2,16-17H2,3H3,(H,28,29).
What are the key properties of N-[2-ethenyl-3-[1-[3-(2-phenylethoxy)anilino]ethenyl]phenyl]acetamide?
N-[2-ethenyl-3-[1-[3-(2-phenylethoxy)anilino]ethenyl]phenyl]acetamide has a molecular weight of 398.51 g/mol, XLogP of 5.99, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethenyl-3-[1-[3-(2-phenylethoxy)anilino]ethenyl]phenyl]acetamide is sourced from PubChem (CID 142852975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).