acetylene;ethane;N-(2-oxopropyl)-3-phenylpropanamide

C16H23NO2 — CID 170949279

IUPACacetylene;ethane;N-(2-oxopropyl)-3-phenylpropanamide
SMILESC#C.CC.CC(=O)CNC(=O)CCc1ccccc1
InChIInChI=1S/C12H15NO2.C2H6.C2H2/c1-10(14)9-13-12(15)8-7-11-5-3-2-4-6-11;2*1-2/h2-6H,7-9H2,1H3,(H,13,15);1-2H3;1-2H
InChIKeyUSSHBFTYCXHHDN-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.60
Rot. Bonds5

About acetylene;ethane;N-(2-oxopropyl)-3-phenylpropanamide

acetylene;ethane;N-(2-oxopropyl)-3-phenylpropanamide (PubChem CID 170949279) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is acetylene;ethane;N-(2-oxopropyl)-3-phenylpropanamide.

Molecular Properties

Compound Nameacetylene;ethane;N-(2-oxopropyl)-3-phenylpropanamide
PubChem CID170949279
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Nameacetylene;ethane;N-(2-oxopropyl)-3-phenylpropanamide
SMILESC#C.CC.CC(=O)CNC(=O)CCc1ccccc1
InChIInChI=1S/C12H15NO2.C2H6.C2H2/c1-10(14)9-13-12(15)8-7-11-5-3-2-4-6-11;2*1-2/h2-6H,7-9H2,1H3,(H,13,15);1-2H3;1-2H
InChIKeyUSSHBFTYCXHHDN-UHFFFAOYSA-N
XLogP2.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylprop-2-enyl)-3-phenylpropanamide
CID 11469759
methyl 2-(3-phenylpropanoylamino)acetate
CID 3927875
methylphosphane;N-(2-oxopropyl)-2-phenylacetamide
CID 161423403
N-[2-(N-methylanilino)-2-oxoethyl]-3-phenylpropanamide
CID 112996270
N-[2-(3-phenylpropanoylamino)ethyl]butanamide
CID 108573772
N-(2,2-dimethylpropyl)-3-phenylpropanamide
CID 100801997
N-[(E)-pent-3-enyl]-3-phenylpropanamide
CID 101244691
N-hydroxy-3-[4-(2-phenylethyl)phenyl]propanamide
CID 22986796
N-[[4-(bromomethyl)phenyl]methyl]-3-phenylpropanamide
CID 107233854
(4-methylphenyl) 2-(3-phenylpropanoylamino)acetate
CID 110670571
N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-phenylpropanamide
CID 112991215
2-[3-(4-methylphenyl)propanoylamino]acetic acid
CID 43354539

Frequently Asked Questions

What is the IUPAC name of acetylene;ethane;N-(2-oxopropyl)-3-phenylpropanamide?
The IUPAC name of acetylene;ethane;N-(2-oxopropyl)-3-phenylpropanamide (CID 170949279) is acetylene;ethane;N-(2-oxopropyl)-3-phenylpropanamide.
What is the SMILES notation for acetylene;ethane;N-(2-oxopropyl)-3-phenylpropanamide?
The canonical SMILES for acetylene;ethane;N-(2-oxopropyl)-3-phenylpropanamide is C#C.CC.CC(=O)CNC(=O)CCc1ccccc1.
What is the InChIKey of acetylene;ethane;N-(2-oxopropyl)-3-phenylpropanamide?
The InChIKey is USSHBFTYCXHHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2.C2H6.C2H2/c1-10(14)9-13-12(15)8-7-11-5-3-2-4-6-11;2*1-2/h2-6H,7-9H2,1H3,(H,13,15);1-2H3;1-2H.
What are the key properties of acetylene;ethane;N-(2-oxopropyl)-3-phenylpropanamide?
acetylene;ethane;N-(2-oxopropyl)-3-phenylpropanamide has a molecular weight of 261.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;ethane;N-(2-oxopropyl)-3-phenylpropanamide is sourced from PubChem (CID 170949279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).