[2-[(2-methoxy-4,5-dimethylphenyl)diazenyl]-5-methylphenyl]urea

C17H20N4O2 — CID 157197459

IUPAC[2-[(2-methoxy-4,5-dimethylphenyl)diazenyl]-5-methylphenyl]urea
SMILESCOc1cc(C)c(C)cc1/N=N/c1ccc(C)cc1NC(N)=O
InChIInChI=1S/C17H20N4O2/c1-10-5-6-13(14(7-10)19-17(18)22)20-21-15-8-11(2)12(3)9-16(15)23-4/h5-9H,1-4H3,(H3,18,19,22)/b21-20+
InChIKeySKRZOYLNNGXCMZ-QZQOTICOSA-N
MW312.37 g/mol
LogP4.53
Rot. Bonds4

About [2-[(2-methoxy-4,5-dimethylphenyl)diazenyl]-5-methylphenyl]urea

[2-[(2-methoxy-4,5-dimethylphenyl)diazenyl]-5-methylphenyl]urea (PubChem CID 157197459) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is [2-[(2-methoxy-4,5-dimethylphenyl)diazenyl]-5-methylphenyl]urea.

Molecular Properties

Compound Name[2-[(2-methoxy-4,5-dimethylphenyl)diazenyl]-5-methylphenyl]urea
PubChem CID157197459
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name[2-[(2-methoxy-4,5-dimethylphenyl)diazenyl]-5-methylphenyl]urea
SMILESCOc1cc(C)c(C)cc1/N=N/c1ccc(C)cc1NC(N)=O
InChIInChI=1S/C17H20N4O2/c1-10-5-6-13(14(7-10)19-17(18)22)20-21-15-8-11(2)12(3)9-16(15)23-4/h5-9H,1-4H3,(H3,18,19,22)/b21-20+
InChIKeySKRZOYLNNGXCMZ-QZQOTICOSA-N
XLogP4.53
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.53
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

ethane;(2-methoxy-5-methylphenyl)urea
CID 142042876
4-acetamido-2-methyl-5-phenyldiazenylbenzenesulfonic acid;ethane;N-[2-[(2-methoxy-4,5-dimethylphenyl)diazenyl]-5-methylphenyl]acetamide;[2-[(2-methoxy-4,5-dimethylphenyl)diazenyl]-5-methylphenyl]urea;N-[2-[(2-methoxy-4-methylphenyl)diazenyl]-5-methylphenyl]acetamide;N-[2-[(2-methoxy-5-methylphenyl)diazenyl]-5-methylphenyl]acetamide;N-(4-methoxy-5-methyl-2-phenyldiazenylphenyl)acetamide;N-(5-methyl-2-phenyldiazenylphenyl)acetamide;bis((5-methyl-2-phenyldiazenylphenyl)urea);(4-methylphenyl)-phenyldiazene
CID 157197456
(4,5-dimethoxy-2-methylphenyl)urea
CID 82492626
(2-bromo-5-methylphenyl)urea
CID 82707313
3-[[4-[[2-(carbamoylamino)-4-methylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-4-(trioxidanylsulfanyl)benzenesulfonic acid
CID 23546625
N-(5-methyl-2-phenyldiazenylphenyl)acetamide
CID 154602849
4-[(2-methoxy-4-methylphenyl)diazenyl]-6-methylbenzene-1,3-diamine
CID 58654539
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
4-[[3-(carbamoylamino)-4-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]-3,5-dihydroxy-2-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]benzoic acid
CID 155009128
ethane;(2-methoxyphenyl)urea
CID 143063924
N-[4-(chlorodiazenyl)-5-methoxy-2-methylphenyl]benzamide
CID 50936931
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxy-4,5-dimethylphenyl)diazenyl]-5-methylphenyl]urea?
The IUPAC name of [2-[(2-methoxy-4,5-dimethylphenyl)diazenyl]-5-methylphenyl]urea (CID 157197459) is [2-[(2-methoxy-4,5-dimethylphenyl)diazenyl]-5-methylphenyl]urea.
What is the SMILES notation for [2-[(2-methoxy-4,5-dimethylphenyl)diazenyl]-5-methylphenyl]urea?
The canonical SMILES for [2-[(2-methoxy-4,5-dimethylphenyl)diazenyl]-5-methylphenyl]urea is COc1cc(C)c(C)cc1/N=N/c1ccc(C)cc1NC(N)=O.
What is the InChIKey of [2-[(2-methoxy-4,5-dimethylphenyl)diazenyl]-5-methylphenyl]urea?
The InChIKey is SKRZOYLNNGXCMZ-QZQOTICOSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-10-5-6-13(14(7-10)19-17(18)22)20-21-15-8-11(2)12(3)9-16(15)23-4/h5-9H,1-4H3,(H3,18,19,22)/b21-20+.
What are the key properties of [2-[(2-methoxy-4,5-dimethylphenyl)diazenyl]-5-methylphenyl]urea?
[2-[(2-methoxy-4,5-dimethylphenyl)diazenyl]-5-methylphenyl]urea has a molecular weight of 312.37 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxy-4,5-dimethylphenyl)diazenyl]-5-methylphenyl]urea is sourced from PubChem (CID 157197459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).