N-acetyl-N-[4-[4-(4-aminophenyl)buta-1,3-diynyl]phenyl]acetamide

C20H16N2O2 — CID 140616487

IUPACN-acetyl-N-[4-[4-(4-aminophenyl)buta-1,3-diynyl]phenyl]acetamide
SMILESCC(=O)N(C(C)=O)c1ccc(C#CC#Cc2ccc(N)cc2)cc1
InChIInChI=1S/C20H16N2O2/c1-15(23)22(16(2)24)20-13-9-18(10-14-20)6-4-3-5-17-7-11-19(21)12-8-17/h7-14H,21H2,1-2H3
InChIKeyVVKTYECFLTZJTK-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.57
Rot. Bonds1

About N-acetyl-N-[4-[4-(4-aminophenyl)buta-1,3-diynyl]phenyl]acetamide

N-acetyl-N-[4-[4-(4-aminophenyl)buta-1,3-diynyl]phenyl]acetamide (PubChem CID 140616487) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-acetyl-N-[4-[4-(4-aminophenyl)buta-1,3-diynyl]phenyl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[4-[4-(4-aminophenyl)buta-1,3-diynyl]phenyl]acetamide
PubChem CID140616487
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC NameN-acetyl-N-[4-[4-(4-aminophenyl)buta-1,3-diynyl]phenyl]acetamide
SMILESCC(=O)N(C(C)=O)c1ccc(C#CC#Cc2ccc(N)cc2)cc1
InChIInChI=1S/C20H16N2O2/c1-15(23)22(16(2)24)20-13-9-18(10-14-20)6-4-3-5-17-7-11-19(21)12-8-17/h7-14H,21H2,1-2H3
InChIKeyVVKTYECFLTZJTK-UHFFFAOYSA-N
XLogP2.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-acetyl-N-[4-[4-(4-aminophenyl)buta-1,3-diynyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[2-(4-aminophenyl)ethynyl]phenyl]ethanone
CID 11470363
N-acetyl-N-(6-aminonaphthalen-2-yl)acetamide
CID 59942778
ethyl 3-(4-aminophenyl)prop-2-ynoate
CID 20525747
(2S,3R)-2-[[4-[4-(4-aminophenyl)buta-1,3-diynyl]benzoyl]amino]-3-hydroxybutanoic acid
CID 87084915
N-(4-aminophenyl)-N-methylsulfonylacetamide
CID 71399736
N-(4-aminophenyl)-N-[[4-(dimethylamino)phenyl]carbamoyl]acetamide
CID 108894693
4-[4-(4-aminophenyl)buta-1,3-diynyl]-N-[(4R)-1,4-dihydroxy-2-oxopentan-3-yl]benzamide
CID 58342844
N-(4-aminophenyl)-N-(benzhydrylcarbamoyl)acetamide
CID 108867377
N-(4-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide
CID 108899030
N-(4-aminophenyl)-N-(thiophen-2-ylcarbamoyl)acetamide
CID 108889107
5-(4-fluorophenyl)penta-2,4-diynoic acid
CID 119088669
4-(4-aminophenyl)but-3-ynoic acid
CID 67843396

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[4-[4-(4-aminophenyl)buta-1,3-diynyl]phenyl]acetamide?
The IUPAC name of N-acetyl-N-[4-[4-(4-aminophenyl)buta-1,3-diynyl]phenyl]acetamide (CID 140616487) is N-acetyl-N-[4-[4-(4-aminophenyl)buta-1,3-diynyl]phenyl]acetamide.
What is the SMILES notation for N-acetyl-N-[4-[4-(4-aminophenyl)buta-1,3-diynyl]phenyl]acetamide?
The canonical SMILES for N-acetyl-N-[4-[4-(4-aminophenyl)buta-1,3-diynyl]phenyl]acetamide is CC(=O)N(C(C)=O)c1ccc(C#CC#Cc2ccc(N)cc2)cc1.
What is the InChIKey of N-acetyl-N-[4-[4-(4-aminophenyl)buta-1,3-diynyl]phenyl]acetamide?
The InChIKey is VVKTYECFLTZJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-15(23)22(16(2)24)20-13-9-18(10-14-20)6-4-3-5-17-7-11-19(21)12-8-17/h7-14H,21H2,1-2H3.
What are the key properties of N-acetyl-N-[4-[4-(4-aminophenyl)buta-1,3-diynyl]phenyl]acetamide?
N-acetyl-N-[4-[4-(4-aminophenyl)buta-1,3-diynyl]phenyl]acetamide has a molecular weight of 316.36 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[4-[4-(4-aminophenyl)buta-1,3-diynyl]phenyl]acetamide is sourced from PubChem (CID 140616487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).