ethane;N-phenylhex-4-ynamide

C14H19NO — CID 91335104

IUPACethane;N-phenylhex-4-ynamide
SMILESCC.CC#CCCC(=O)Nc1ccccc1
InChIInChI=1S/C12H13NO.C2H6/c1-2-3-5-10-12(14)13-11-8-6-4-7-9-11;1-2/h4,6-9H,5,10H2,1H3,(H,13,14);1-2H3
InChIKeyLOVNLHDMGTZAKU-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.45
Rot. Bonds3

About ethane;N-phenylhex-4-ynamide

ethane;N-phenylhex-4-ynamide (PubChem CID 91335104) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is ethane;N-phenylhex-4-ynamide.

Molecular Properties

Compound Nameethane;N-phenylhex-4-ynamide
PubChem CID91335104
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Nameethane;N-phenylhex-4-ynamide
SMILESCC.CC#CCCC(=O)Nc1ccccc1
InChIInChI=1S/C12H13NO.C2H6/c1-2-3-5-10-12(14)13-11-8-6-4-7-9-11;1-2/h4,6-9H,5,10H2,1H3,(H,13,14);1-2H3
InChIKeyLOVNLHDMGTZAKU-UHFFFAOYSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(hex-4-ynoylamino)benzoic acid
CID 2168045
N-(3-methylphenyl)hex-4-ynamide
CID 71177408
3-(dipropylamino)-N-phenylpropanamide
CID 52579960
3-fluoro-N-phenylpropanamide
CID 70366284
3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide
CID 171553811
ethane;methane;N-phenylpropanamide
CID 159778408
(3-anilino-3-oxopropyl)-dimethylsulfanium
CID 10786108
(3-anilino-3-oxopropyl)-trimethylazanium
CID 173269381
3-acetamido-N-phenylpropanamide
CID 7946185
5-anilino-2-methyl-5-oxopentanoic acid
CID 2950289
5,5-dibromo-N-phenylpentanamide
CID 174352057
N-phenylpentacosanamide
CID 19025260

Frequently Asked Questions

What is the IUPAC name of ethane;N-phenylhex-4-ynamide?
The IUPAC name of ethane;N-phenylhex-4-ynamide (CID 91335104) is ethane;N-phenylhex-4-ynamide.
What is the SMILES notation for ethane;N-phenylhex-4-ynamide?
The canonical SMILES for ethane;N-phenylhex-4-ynamide is CC.CC#CCCC(=O)Nc1ccccc1.
What is the InChIKey of ethane;N-phenylhex-4-ynamide?
The InChIKey is LOVNLHDMGTZAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO.C2H6/c1-2-3-5-10-12(14)13-11-8-6-4-7-9-11;1-2/h4,6-9H,5,10H2,1H3,(H,13,14);1-2H3.
What are the key properties of ethane;N-phenylhex-4-ynamide?
ethane;N-phenylhex-4-ynamide has a molecular weight of 217.31 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-phenylhex-4-ynamide is sourced from PubChem (CID 91335104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).