N-[8-hydroxy-7-[(2-methoxyphenyl)diazenyl]-3-methylnaphthalen-1-yl]acetamide

C20H19N3O3 — CID 136634815

IUPACN-[8-hydroxy-7-[(2-methoxyphenyl)diazenyl]-3-methylnaphthalen-1-yl]acetamide
SMILESCOc1ccccc1/N=N/c1ccc2cc(C)cc(NC(C)=O)c2c1O
InChIInChI=1S/C20H19N3O3/c1-12-10-14-8-9-16(20(25)19(14)17(11-12)21-13(2)24)23-22-15-6-4-5-7-18(15)26-3/h4-11,25H,1-3H3,(H,21,24)/b23-22+
InChIKeyNFZCDYRSPOXJSR-GHVJWSGMSA-N
MW349.39 g/mol
LogP5.24
Rot. Bonds4

About N-[8-hydroxy-7-[(2-methoxyphenyl)diazenyl]-3-methylnaphthalen-1-yl]acetamide

N-[8-hydroxy-7-[(2-methoxyphenyl)diazenyl]-3-methylnaphthalen-1-yl]acetamide (PubChem CID 136634815) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[8-hydroxy-7-[(2-methoxyphenyl)diazenyl]-3-methylnaphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-[8-hydroxy-7-[(2-methoxyphenyl)diazenyl]-3-methylnaphthalen-1-yl]acetamide
PubChem CID136634815
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[8-hydroxy-7-[(2-methoxyphenyl)diazenyl]-3-methylnaphthalen-1-yl]acetamide
SMILESCOc1ccccc1/N=N/c1ccc2cc(C)cc(NC(C)=O)c2c1O
InChIInChI=1S/C20H19N3O3/c1-12-10-14-8-9-16(20(25)19(14)17(11-12)21-13(2)24)23-22-15-6-4-5-7-18(15)26-3/h4-11,25H,1-3H3,(H,21,24)/b23-22+
InChIKeyNFZCDYRSPOXJSR-GHVJWSGMSA-N
XLogP5.24
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.39
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[6-amino-3-[(2-methoxyphenyl)diazenyl]-2-pyridinyl]acetamide
CID 164908733
bis(2-methoxyphenyl)diazene
CID 11947
(2-methoxy-4-methylphenyl)-[4-[(2-methoxyphenyl)diazenyl]phenyl]diazene
CID 156523555
N-[3-[(2-acetamidophenyl)diazenyl]-2-hydroxyphenyl]acetamide
CID 541079
4-acetamido-6-[(4-acetamidophenyl)diazenyl]-5-hydroxynaphthalene-2-sulfonic acid
CID 135517467
N-[8-(2-methoxyphenyl)naphthalen-1-yl]acetamide
CID 141351710
N-[7-[(2,4-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]benzamide
CID 135698143
N-(5-methyl-2-phenyldiazenylphenyl)acetamide
CID 154602849
[2-[(2-methoxy-4,5-dimethylphenyl)diazenyl]-5-methylphenyl]urea
CID 157197459
(3,5-dimethyl-2-methylsulfanylphenyl)-(2-methoxyphenyl)diazene
CID 21342477
4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid
CID 22137
4-hydroxy-7-[[5-hydroxy-7-sulfonato-6-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalen-2-yl]carbamoylamino]-3-[(2-methoxyphenyl)diazenyl]naphthalene-2-sulfonate
CID 4186805

Frequently Asked Questions

What is the IUPAC name of N-[8-hydroxy-7-[(2-methoxyphenyl)diazenyl]-3-methylnaphthalen-1-yl]acetamide?
The IUPAC name of N-[8-hydroxy-7-[(2-methoxyphenyl)diazenyl]-3-methylnaphthalen-1-yl]acetamide (CID 136634815) is N-[8-hydroxy-7-[(2-methoxyphenyl)diazenyl]-3-methylnaphthalen-1-yl]acetamide.
What is the SMILES notation for N-[8-hydroxy-7-[(2-methoxyphenyl)diazenyl]-3-methylnaphthalen-1-yl]acetamide?
The canonical SMILES for N-[8-hydroxy-7-[(2-methoxyphenyl)diazenyl]-3-methylnaphthalen-1-yl]acetamide is COc1ccccc1/N=N/c1ccc2cc(C)cc(NC(C)=O)c2c1O.
What is the InChIKey of N-[8-hydroxy-7-[(2-methoxyphenyl)diazenyl]-3-methylnaphthalen-1-yl]acetamide?
The InChIKey is NFZCDYRSPOXJSR-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-12-10-14-8-9-16(20(25)19(14)17(11-12)21-13(2)24)23-22-15-6-4-5-7-18(15)26-3/h4-11,25H,1-3H3,(H,21,24)/b23-22+.
What are the key properties of N-[8-hydroxy-7-[(2-methoxyphenyl)diazenyl]-3-methylnaphthalen-1-yl]acetamide?
N-[8-hydroxy-7-[(2-methoxyphenyl)diazenyl]-3-methylnaphthalen-1-yl]acetamide has a molecular weight of 349.39 g/mol, XLogP of 5.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-hydroxy-7-[(2-methoxyphenyl)diazenyl]-3-methylnaphthalen-1-yl]acetamide is sourced from PubChem (CID 136634815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).