N-acetyl-N-[4-[(4-aminophenyl)diazenyl]-2,6-dimethylphenyl]acetamide

C18H20N4O2 — CID 88816516

IUPACN-acetyl-N-[4-[(4-aminophenyl)diazenyl]-2,6-dimethylphenyl]acetamide
SMILESCC(=O)N(C(C)=O)c1c(C)cc(/N=N/c2ccc(N)cc2)cc1C
InChIInChI=1S/C18H20N4O2/c1-11-9-17(21-20-16-7-5-15(19)6-8-16)10-12(2)18(11)22(13(3)23)14(4)24/h5-10H,19H2,1-4H3/b21-20+
InChIKeyCTMVNPSTZCQFJE-QZQOTICOSA-N
MW324.38 g/mol
LogP4.20
Rot. Bonds3

About N-acetyl-N-[4-[(4-aminophenyl)diazenyl]-2,6-dimethylphenyl]acetamide

N-acetyl-N-[4-[(4-aminophenyl)diazenyl]-2,6-dimethylphenyl]acetamide (PubChem CID 88816516) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-acetyl-N-[4-[(4-aminophenyl)diazenyl]-2,6-dimethylphenyl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[4-[(4-aminophenyl)diazenyl]-2,6-dimethylphenyl]acetamide
PubChem CID88816516
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-acetyl-N-[4-[(4-aminophenyl)diazenyl]-2,6-dimethylphenyl]acetamide
SMILESCC(=O)N(C(C)=O)c1c(C)cc(/N=N/c2ccc(N)cc2)cc1C
InChIInChI=1S/C18H20N4O2/c1-11-9-17(21-20-16-7-5-15(19)6-8-16)10-12(2)18(11)22(13(3)23)14(4)24/h5-10H,19H2,1-4H3/b21-20+
InChIKeyCTMVNPSTZCQFJE-QZQOTICOSA-N
XLogP4.20
TPSA88.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-acetyl-N-[4-[(4-amino-3-methoxyphenyl)diazenyl]-2,6-dimethylphenyl]acetamide
CID 88816585
4-[[4-[[4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-2,6-dimethylphenol
CID 136901382
4-[(3-chloro-4-methylphenyl)diazenyl]aniline
CID 118893788
1-[4-[(4-aminophenyl)diazenyl]-N-(1-hydroxyethyl)-3-methylanilino]ethanol
CID 19834613
4-[(4-amino-2-methylphenyl)diazenyl]benzenesulfonamide
CID 175543778
4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 71332869
4-[(4-aminophenyl)diazenyl]-2,6-dichlorobenzenesulfonic acid
CID 134929889
4-(dimethylaminodiazenyl)aniline
CID 71404531
4-[2-[4-[[4-[2-[4-[[4-[2-[4-[[4-[2-(4-amino-2-methylphenyl)ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylaniline
CID 59729744
N-[4-[(2,4-diaminophenyl)diazenyl]phenyl]acetamide
CID 29045
4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide
CID 134597340
1-[5-[(3-acetyl-4-aminophenyl)diazenyl]-2-aminophenyl]ethanone
CID 134604009

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[4-[(4-aminophenyl)diazenyl]-2,6-dimethylphenyl]acetamide?
The IUPAC name of N-acetyl-N-[4-[(4-aminophenyl)diazenyl]-2,6-dimethylphenyl]acetamide (CID 88816516) is N-acetyl-N-[4-[(4-aminophenyl)diazenyl]-2,6-dimethylphenyl]acetamide.
What is the SMILES notation for N-acetyl-N-[4-[(4-aminophenyl)diazenyl]-2,6-dimethylphenyl]acetamide?
The canonical SMILES for N-acetyl-N-[4-[(4-aminophenyl)diazenyl]-2,6-dimethylphenyl]acetamide is CC(=O)N(C(C)=O)c1c(C)cc(/N=N/c2ccc(N)cc2)cc1C.
What is the InChIKey of N-acetyl-N-[4-[(4-aminophenyl)diazenyl]-2,6-dimethylphenyl]acetamide?
The InChIKey is CTMVNPSTZCQFJE-QZQOTICOSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-11-9-17(21-20-16-7-5-15(19)6-8-16)10-12(2)18(11)22(13(3)23)14(4)24/h5-10H,19H2,1-4H3/b21-20+.
What are the key properties of N-acetyl-N-[4-[(4-aminophenyl)diazenyl]-2,6-dimethylphenyl]acetamide?
N-acetyl-N-[4-[(4-aminophenyl)diazenyl]-2,6-dimethylphenyl]acetamide has a molecular weight of 324.38 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[4-[(4-aminophenyl)diazenyl]-2,6-dimethylphenyl]acetamide is sourced from PubChem (CID 88816516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).