N-[2-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-5-(methylamino)phenyl]acetamide

C21H22N4O — CID 59779304

IUPACN-[2-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-5-(methylamino)phenyl]acetamide
SMILESCNc1ccc(/N=N/c2cc(C)c3cccc(C)c3c2)c(NC(C)=O)c1
InChIInChI=1S/C21H22N4O/c1-13-6-5-7-18-14(2)10-17(11-19(13)18)24-25-20-9-8-16(22-4)12-21(20)23-15(3)26/h5-12,22H,1-4H3,(H,23,26)/b25-24+
InChIKeyRCDASKOMEVMFKY-OCOZRVBESA-N
MW346.43 g/mol
LogP5.87
Rot. Bonds4

About N-[2-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-5-(methylamino)phenyl]acetamide

N-[2-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-5-(methylamino)phenyl]acetamide (PubChem CID 59779304) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[2-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-5-(methylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-5-(methylamino)phenyl]acetamide
PubChem CID59779304
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-[2-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-5-(methylamino)phenyl]acetamide
SMILESCNc1ccc(/N=N/c2cc(C)c3cccc(C)c3c2)c(NC(C)=O)c1
InChIInChI=1S/C21H22N4O/c1-13-6-5-7-18-14(2)10-17(11-19(13)18)24-25-20-9-8-16(22-4)12-21(20)23-15(3)26/h5-12,22H,1-4H3,(H,23,26)/b25-24+
InChIKeyRCDASKOMEVMFKY-OCOZRVBESA-N
XLogP5.87
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-5-[[4-fluoro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 58965470
2-[[2-acetamido-4-(methylamino)phenyl]diazenyl]-5-methylbenzenesulfonic acid
CID 58112450
3-[[2-acetamido-4-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]naphthalene-1,5-disulfonic acid
CID 20677974
N-(5-methyl-2-phenyldiazenylphenyl)acetamide
CID 154602849
3-[[2-methyl-4-(methylamino)phenyl]diazenyl]naphthalene-1,5-disulfonic acid
CID 21351279
N-[5-(methylamino)-2-[(2-methylphenyl)diazenyl]phenyl]acetamide;1-methylsulfonyl-2-(trioxidanylsulfanyloxy)ethane
CID 90949729
N-[3-(butanoylamino)-4-phenyldiazenylphenyl]butanamide
CID 4526974
2-[[2-(carbamoylamino)-4-(methylamino)phenyl]diazenyl]benzenesulfonic acid
CID 20741761
3-methyl-N-[3-[(3-methylbenzoyl)amino]-4-phenyldiazenylphenyl]benzamide
CID 4250070
3-[[2-acetamido-4-[[4-chloro-6-(2,5-disulfoanilino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,5-disulfonic acid
CID 132582656
7-[(2,4-dimethylphenyl)diazenyl]-5-methylnaphthalene-1-sulfonic acid
CID 123706103
N-[2-methoxy-5-(methylamino)phenyl]acetamide
CID 82649039

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-5-(methylamino)phenyl]acetamide?
The IUPAC name of N-[2-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-5-(methylamino)phenyl]acetamide (CID 59779304) is N-[2-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-5-(methylamino)phenyl]acetamide.
What is the SMILES notation for N-[2-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-5-(methylamino)phenyl]acetamide?
The canonical SMILES for N-[2-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-5-(methylamino)phenyl]acetamide is CNc1ccc(/N=N/c2cc(C)c3cccc(C)c3c2)c(NC(C)=O)c1.
What is the InChIKey of N-[2-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-5-(methylamino)phenyl]acetamide?
The InChIKey is RCDASKOMEVMFKY-OCOZRVBESA-N. The full InChI is InChI=1S/C21H22N4O/c1-13-6-5-7-18-14(2)10-17(11-19(13)18)24-25-20-9-8-16(22-4)12-21(20)23-15(3)26/h5-12,22H,1-4H3,(H,23,26)/b25-24+.
What are the key properties of N-[2-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-5-(methylamino)phenyl]acetamide?
N-[2-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-5-(methylamino)phenyl]acetamide has a molecular weight of 346.43 g/mol, XLogP of 5.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-5-(methylamino)phenyl]acetamide is sourced from PubChem (CID 59779304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).