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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Related Compounds

N-acetyl-N-[4-[(4-aminophenyl)diazenyl]-2,6-dimethylphenyl]acetamide
CID 88816516
4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-methoxyaniline
CID 156576071
5-[(4-amino-3-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid
CID 148930754
1-[5-[(3-acetyl-4-aminophenyl)diazenyl]-2-aminophenyl]ethanone
CID 134604009
3,4-dimethylaniline;(3,4-dimethylphenyl)-(3-methoxy-4-nitrophenyl)diazene;1-(3,4-dimethylphenyl)-2-(3-methoxy-4-nitrophenyl)hydrazine;2-methoxybenzene-1,4-diamine
CID 159125409
(4-amino-3-methoxyphenyl)-(5-methylfuran-2-yl)methanone
CID 104785039
4-[(3,4-dimethylphenyl)diazenyl]-3-methoxyaniline
CID 118049560
methyl 4-amino-3-methoxybenzoate
CID 602411
4-amino-3-methoxybenzoic acid;ethane
CID 91282219
(4-isocyanato-2-methoxyphenyl)-(4-isocyanato-3-methylphenyl)diazene
CID 21242740
3-(4-amino-3-methoxyphenyl)-1,1-dimethylurea
CID 79154526
2-(4-amino-3-methoxyphenyl)-N,N-dimethylacetamide
CID 130276414

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).