N-(2-oct-1-ynylphenyl)acetamide

C16H21NO — CID 11658791

IUPACN-(2-oct-1-ynylphenyl)acetamide
SMILESCCCCCCC#Cc1ccccc1NC(C)=O
InChIInChI=1S/C16H21NO/c1-3-4-5-6-7-8-11-15-12-9-10-13-16(15)17-14(2)18/h9-10,12-13H,3-7H2,1-2H3,(H,17,18)
InChIKeyFUOBXHHRBMAAIX-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.97
Rot. Bonds5

About N-(2-oct-1-ynylphenyl)acetamide

N-(2-oct-1-ynylphenyl)acetamide (PubChem CID 11658791) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(2-oct-1-ynylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-oct-1-ynylphenyl)acetamide
PubChem CID11658791
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-(2-oct-1-ynylphenyl)acetamide
SMILESCCCCCCC#Cc1ccccc1NC(C)=O
InChIInChI=1S/C16H21NO/c1-3-4-5-6-7-8-11-15-12-9-10-13-16(15)17-14(2)18/h9-10,12-13H,3-7H2,1-2H3,(H,17,18)
InChIKeyFUOBXHHRBMAAIX-UHFFFAOYSA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(oct-1-ynyl)benzene
CID 11087701
2-fluoro-N-(2-hex-1-ynylphenyl)benzamide
CID 102450592
N-[2-[3-(diethylamino)prop-1-ynyl]phenyl]acetamide
CID 11436489
N-[2-(3-cyanoprop-1-ynyl)phenyl]acetamide
CID 170475269
3-(2-non-1-ynylphenyl)prop-2-enoic acid
CID 76841458
3-(2-oct-1-ynylphenyl)prop-2-enoic acid
CID 69252054
3-(2-dodec-1-ynylphenyl)propanoic acid
CID 151187733
1-fluoro-2-tridec-1-ynylbenzene
CID 162401723
2-acetamido-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 54923051
N-[2-(3-hydroxyprop-1-ynyl)phenyl]butanamide
CID 60800145
1-dec-1-ynyl-2-isocyanatobenzene
CID 101208885
diethyl 2-(2-hept-1-ynylphenyl)propanedioate
CID 11566127

Frequently Asked Questions

What is the IUPAC name of N-(2-oct-1-ynylphenyl)acetamide?
The IUPAC name of N-(2-oct-1-ynylphenyl)acetamide (CID 11658791) is N-(2-oct-1-ynylphenyl)acetamide.
What is the SMILES notation for N-(2-oct-1-ynylphenyl)acetamide?
The canonical SMILES for N-(2-oct-1-ynylphenyl)acetamide is CCCCCCC#Cc1ccccc1NC(C)=O.
What is the InChIKey of N-(2-oct-1-ynylphenyl)acetamide?
The InChIKey is FUOBXHHRBMAAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-3-4-5-6-7-8-11-15-12-9-10-13-16(15)17-14(2)18/h9-10,12-13H,3-7H2,1-2H3,(H,17,18).
What are the key properties of N-(2-oct-1-ynylphenyl)acetamide?
N-(2-oct-1-ynylphenyl)acetamide has a molecular weight of 243.35 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oct-1-ynylphenyl)acetamide is sourced from PubChem (CID 11658791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).