ethane;N-methyl-N-phenylpent-4-ynamide

C14H19NO — CID 90714881

IUPACethane;N-methyl-N-phenylpent-4-ynamide
SMILESC#CCCC(=O)N(C)c1ccccc1.CC
InChIInChI=1S/C12H13NO.C2H6/c1-3-4-10-12(14)13(2)11-8-6-5-7-9-11;1-2/h1,5-9H,4,10H2,2H3;1-2H3
InChIKeyAEOZPTWXGJQCIX-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.09
Rot. Bonds3

About ethane;N-methyl-N-phenylpent-4-ynamide

ethane;N-methyl-N-phenylpent-4-ynamide (PubChem CID 90714881) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is ethane;N-methyl-N-phenylpent-4-ynamide.

Molecular Properties

Compound Nameethane;N-methyl-N-phenylpent-4-ynamide
PubChem CID90714881
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Nameethane;N-methyl-N-phenylpent-4-ynamide
SMILESC#CCCC(=O)N(C)c1ccccc1.CC
InChIInChI=1S/C12H13NO.C2H6/c1-3-4-10-12(14)13(2)11-8-6-5-7-9-11;1-2/h1,5-9H,4,10H2,2H3;1-2H3
InChIKeyAEOZPTWXGJQCIX-UHFFFAOYSA-N
XLogP3.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-N-methylpent-4-ynamide
CID 86086919
3-hydroxy-N-methyl-N-phenylpropanamide
CID 82111467
4-chloro-N-methyl-N-phenylbutanamide
CID 16780864
N-methyl-N-phenyl-2-pyrrol-1-ylacetamide
CID 110688597
N-methyl-N-phenylnonanamide
CID 54136731
N-methyl-N-phenyl-5-pyridin-2-ylpent-4-ynamide
CID 11579821
N-methyl-N-phenyl-3-piperidin-1-ylpropanamide
CID 110688340
N-methyl-4-oxo-N-phenyl-4-thiophen-2-ylbutanamide
CID 94102437
3-(2-aminophenyl)-N-methyl-N-phenylpropanamide
CID 28713868
N-methyl-6-oxo-N-phenyl-6-piperidin-1-ylhexanamide
CID 10733166
2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
CID 43442375
3-amino-N-methyl-N-phenyl-3-sulfanylidenepropanamide
CID 28942333

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-phenylpent-4-ynamide?
The IUPAC name of ethane;N-methyl-N-phenylpent-4-ynamide (CID 90714881) is ethane;N-methyl-N-phenylpent-4-ynamide.
What is the SMILES notation for ethane;N-methyl-N-phenylpent-4-ynamide?
The canonical SMILES for ethane;N-methyl-N-phenylpent-4-ynamide is C#CCCC(=O)N(C)c1ccccc1.CC.
What is the InChIKey of ethane;N-methyl-N-phenylpent-4-ynamide?
The InChIKey is AEOZPTWXGJQCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO.C2H6/c1-3-4-10-12(14)13(2)11-8-6-5-7-9-11;1-2/h1,5-9H,4,10H2,2H3;1-2H3.
What are the key properties of ethane;N-methyl-N-phenylpent-4-ynamide?
ethane;N-methyl-N-phenylpent-4-ynamide has a molecular weight of 217.31 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-phenylpent-4-ynamide is sourced from PubChem (CID 90714881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).