N-[3-[(E)-5-(3-acetamidophenyl)oct-4-en-2,6-diyn-4-yl]phenyl]acetamide

C24H22N2O2 — CID 146396319

IUPACN-[3-[(E)-5-(3-acetamidophenyl)oct-4-en-2,6-diyn-4-yl]phenyl]acetamide
SMILESCC#C/C(=C(/C#CC)c1cccc(NC(C)=O)c1)c1cccc(NC(C)=O)c1
InChIInChI=1S/C24H22N2O2/c1-5-9-23(19-11-7-13-21(15-19)25-17(3)27)24(10-6-2)20-12-8-14-22(16-20)26-18(4)28/h7-8,11-16H,1-4H3,(H,25,27)(H,26,28)/b24-23+
InChIKeyIYBMDUGZRUFWFU-WCWDXBQESA-N
MW370.45 g/mol
LogP4.56
Rot. Bonds4

About N-[3-[(E)-5-(3-acetamidophenyl)oct-4-en-2,6-diyn-4-yl]phenyl]acetamide

N-[3-[(E)-5-(3-acetamidophenyl)oct-4-en-2,6-diyn-4-yl]phenyl]acetamide (PubChem CID 146396319) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[3-[(E)-5-(3-acetamidophenyl)oct-4-en-2,6-diyn-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(E)-5-(3-acetamidophenyl)oct-4-en-2,6-diyn-4-yl]phenyl]acetamide
PubChem CID146396319
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC NameN-[3-[(E)-5-(3-acetamidophenyl)oct-4-en-2,6-diyn-4-yl]phenyl]acetamide
SMILESCC#C/C(=C(/C#CC)c1cccc(NC(C)=O)c1)c1cccc(NC(C)=O)c1
InChIInChI=1S/C24H22N2O2/c1-5-9-23(19-11-7-13-21(15-19)25-17(3)27)24(10-6-2)20-12-8-14-22(16-20)26-18(4)28/h7-8,11-16H,1-4H3,(H,25,27)(H,26,28)/b24-23+
InChIKeyIYBMDUGZRUFWFU-WCWDXBQESA-N
XLogP4.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(but-2-ynoylamino)benzoic acid
CID 107986423
N-[3-(2-aminoacetyl)phenyl]acetamide
CID 23372958
3-acetamido-N-prop-2-ynylbenzamide
CID 30601137
3-acetamido-N-ethylbenzamide
CID 17230670
N-[3-[1-[2-(4-hydroxybenzoyl)hydrazinyl]ethenyl]phenyl]acetamide
CID 2456651
ethyl 3-acetamidobenzoate
CID 700589
N-[3-[(Z)-2-bromo-1-chloroethenyl]phenyl]acetamide
CID 135075501
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
N-(3-methylphenyl)acetamide
CID 10843
N-[3-(2-ethylsulfanylcarbothioylsulfanylacetyl)phenyl]acetamide
CID 24894423
N-[3-[1-[2-(4-fluorobenzoyl)hydrazinyl]ethenyl]phenyl]acetamide
CID 2690799
N-(3-aminophenyl)acetamide;hydrate;hydrochloride
CID 91872080

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-5-(3-acetamidophenyl)oct-4-en-2,6-diyn-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[(E)-5-(3-acetamidophenyl)oct-4-en-2,6-diyn-4-yl]phenyl]acetamide (CID 146396319) is N-[3-[(E)-5-(3-acetamidophenyl)oct-4-en-2,6-diyn-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(E)-5-(3-acetamidophenyl)oct-4-en-2,6-diyn-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[(E)-5-(3-acetamidophenyl)oct-4-en-2,6-diyn-4-yl]phenyl]acetamide is CC#C/C(=C(/C#CC)c1cccc(NC(C)=O)c1)c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-[(E)-5-(3-acetamidophenyl)oct-4-en-2,6-diyn-4-yl]phenyl]acetamide?
The InChIKey is IYBMDUGZRUFWFU-WCWDXBQESA-N. The full InChI is InChI=1S/C24H22N2O2/c1-5-9-23(19-11-7-13-21(15-19)25-17(3)27)24(10-6-2)20-12-8-14-22(16-20)26-18(4)28/h7-8,11-16H,1-4H3,(H,25,27)(H,26,28)/b24-23+.
What are the key properties of N-[3-[(E)-5-(3-acetamidophenyl)oct-4-en-2,6-diyn-4-yl]phenyl]acetamide?
N-[3-[(E)-5-(3-acetamidophenyl)oct-4-en-2,6-diyn-4-yl]phenyl]acetamide has a molecular weight of 370.45 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-5-(3-acetamidophenyl)oct-4-en-2,6-diyn-4-yl]phenyl]acetamide is sourced from PubChem (CID 146396319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).