N-acetyl-N-[4-[(4-amino-3-methoxyphenyl)diazenyl]-2,6-dimethylphenyl]acetamide

C19H22N4O3 — CID 88816585

IUPACN-acetyl-N-[4-[(4-amino-3-methoxyphenyl)diazenyl]-2,6-dimethylphenyl]acetamide
SMILESCOc1cc(/N=N/c2cc(C)c(N(C(C)=O)C(C)=O)c(C)c2)ccc1N
InChIInChI=1S/C19H22N4O3/c1-11-8-16(9-12(2)19(11)23(13(3)24)14(4)25)22-21-15-6-7-17(20)18(10-15)26-5/h6-10H,20H2,1-5H3/b22-21+
InChIKeyVLQJJRDQEJEZOT-QURGRASLSA-N
MW354.41 g/mol
LogP4.21
Rot. Bonds4

About N-acetyl-N-[4-[(4-amino-3-methoxyphenyl)diazenyl]-2,6-dimethylphenyl]acetamide

N-acetyl-N-[4-[(4-amino-3-methoxyphenyl)diazenyl]-2,6-dimethylphenyl]acetamide (PubChem CID 88816585) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-acetyl-N-[4-[(4-amino-3-methoxyphenyl)diazenyl]-2,6-dimethylphenyl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[4-[(4-amino-3-methoxyphenyl)diazenyl]-2,6-dimethylphenyl]acetamide
PubChem CID88816585
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-acetyl-N-[4-[(4-amino-3-methoxyphenyl)diazenyl]-2,6-dimethylphenyl]acetamide
SMILESCOc1cc(/N=N/c2cc(C)c(N(C(C)=O)C(C)=O)c(C)c2)ccc1N
InChIInChI=1S/C19H22N4O3/c1-11-8-16(9-12(2)19(11)23(13(3)24)14(4)25)22-21-15-6-7-17(20)18(10-15)26-5/h6-10H,20H2,1-5H3/b22-21+
InChIKeyVLQJJRDQEJEZOT-QURGRASLSA-N
XLogP4.21
TPSA97.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[4-[(4-amino-3-methoxyphenyl)diazenyl]-2,6-dimethylphenyl]acetamide?
The IUPAC name of N-acetyl-N-[4-[(4-amino-3-methoxyphenyl)diazenyl]-2,6-dimethylphenyl]acetamide (CID 88816585) is N-acetyl-N-[4-[(4-amino-3-methoxyphenyl)diazenyl]-2,6-dimethylphenyl]acetamide.
What is the SMILES notation for N-acetyl-N-[4-[(4-amino-3-methoxyphenyl)diazenyl]-2,6-dimethylphenyl]acetamide?
The canonical SMILES for N-acetyl-N-[4-[(4-amino-3-methoxyphenyl)diazenyl]-2,6-dimethylphenyl]acetamide is COc1cc(/N=N/c2cc(C)c(N(C(C)=O)C(C)=O)c(C)c2)ccc1N.
What is the InChIKey of N-acetyl-N-[4-[(4-amino-3-methoxyphenyl)diazenyl]-2,6-dimethylphenyl]acetamide?
The InChIKey is VLQJJRDQEJEZOT-QURGRASLSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-11-8-16(9-12(2)19(11)23(13(3)24)14(4)25)22-21-15-6-7-17(20)18(10-15)26-5/h6-10H,20H2,1-5H3/b22-21+.
What are the key properties of N-acetyl-N-[4-[(4-amino-3-methoxyphenyl)diazenyl]-2,6-dimethylphenyl]acetamide?
N-acetyl-N-[4-[(4-amino-3-methoxyphenyl)diazenyl]-2,6-dimethylphenyl]acetamide has a molecular weight of 354.41 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[4-[(4-amino-3-methoxyphenyl)diazenyl]-2,6-dimethylphenyl]acetamide is sourced from PubChem (CID 88816585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).