2-(dimethylamino)-N-[4-(4-phenylbuta-1,3-diynyl)phenyl]acetamide

C20H18N2O — CID 22040342

IUPAC2-(dimethylamino)-N-[4-(4-phenylbuta-1,3-diynyl)phenyl]acetamide
SMILESCN(C)CC(=O)Nc1ccc(C#CC#Cc2ccccc2)cc1
InChIInChI=1S/C20H18N2O/c1-22(2)16-20(23)21-19-14-12-18(13-15-19)11-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,12-15H,16H2,1-2H3,(H,21,23)
InChIKeyPPOGMEVKEYVANF-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.59
Rot. Bonds3

About 2-(dimethylamino)-N-[4-(4-phenylbuta-1,3-diynyl)phenyl]acetamide

2-(dimethylamino)-N-[4-(4-phenylbuta-1,3-diynyl)phenyl]acetamide (PubChem CID 22040342) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[4-(4-phenylbuta-1,3-diynyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[4-(4-phenylbuta-1,3-diynyl)phenyl]acetamide
PubChem CID22040342
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name2-(dimethylamino)-N-[4-(4-phenylbuta-1,3-diynyl)phenyl]acetamide
SMILESCN(C)CC(=O)Nc1ccc(C#CC#Cc2ccccc2)cc1
InChIInChI=1S/C20H18N2O/c1-22(2)16-20(23)21-19-14-12-18(13-15-19)11-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,12-15H,16H2,1-2H3,(H,21,23)
InChIKeyPPOGMEVKEYVANF-UHFFFAOYSA-N
XLogP2.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.59
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

2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
4-[[2-(dimethylamino)acetyl]amino]-N-methylbenzamide
CID 54843994
2-(dimethylamino)-N-naphthalen-2-ylacetamide
CID 54844205
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-phenylacetamide
CID 113160473
N-(4-cyanophenyl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide
CID 41176479
4-[[2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54843896
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827
2-(N-methylanilino)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 32735641
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(3-methylphenyl)acetamide
CID 71985828
N-[2-[[2-(dimethylamino)acetyl]amino]phenyl]-2-phenylacetamide
CID 131931780
2-(dimethylamino)-N-(3-hydroxyphenyl)acetamide
CID 103846180
2-[methyl(2-methylsulfanylethyl)amino]-N-phenylacetamide
CID 78862578

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[4-(4-phenylbuta-1,3-diynyl)phenyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[4-(4-phenylbuta-1,3-diynyl)phenyl]acetamide (CID 22040342) is 2-(dimethylamino)-N-[4-(4-phenylbuta-1,3-diynyl)phenyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[4-(4-phenylbuta-1,3-diynyl)phenyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[4-(4-phenylbuta-1,3-diynyl)phenyl]acetamide is CN(C)CC(=O)Nc1ccc(C#CC#Cc2ccccc2)cc1.
What is the InChIKey of 2-(dimethylamino)-N-[4-(4-phenylbuta-1,3-diynyl)phenyl]acetamide?
The InChIKey is PPOGMEVKEYVANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-22(2)16-20(23)21-19-14-12-18(13-15-19)11-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,12-15H,16H2,1-2H3,(H,21,23).
What are the key properties of 2-(dimethylamino)-N-[4-(4-phenylbuta-1,3-diynyl)phenyl]acetamide?
2-(dimethylamino)-N-[4-(4-phenylbuta-1,3-diynyl)phenyl]acetamide has a molecular weight of 302.38 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[4-(4-phenylbuta-1,3-diynyl)phenyl]acetamide is sourced from PubChem (CID 22040342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).