(3-methyl-4-tridecylphenyl)urea

C21H36N2O — CID 59703142

IUPAC(3-methyl-4-tridecylphenyl)urea
SMILESCCCCCCCCCCCCCc1ccc(NC(N)=O)cc1C
InChIInChI=1S/C21H36N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-15-16-20(17-18(19)2)23-21(22)24/h15-17H,3-14H2,1-2H3,(H3,22,23,24)
InChIKeyAZICQYIAZNNUDH-UHFFFAOYSA-N
MW332.53 g/mol
LogP6.34
Rot. Bonds13

About (3-methyl-4-tridecylphenyl)urea

(3-methyl-4-tridecylphenyl)urea (PubChem CID 59703142) has the molecular formula C21H36N2O and a molecular weight of 332.53 g/mol. Its IUPAC name is (3-methyl-4-tridecylphenyl)urea.

Molecular Properties

Compound Name(3-methyl-4-tridecylphenyl)urea
PubChem CID59703142
Molecular FormulaC21H36N2O
Molecular Weight332.53 g/mol
Exact Mass332.28
IUPAC Name(3-methyl-4-tridecylphenyl)urea
SMILESCCCCCCCCCCCCCc1ccc(NC(N)=O)cc1C
InChIInChI=1S/C21H36N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-15-16-20(17-18(19)2)23-21(22)24/h15-17H,3-14H2,1-2H3,(H3,22,23,24)
InChIKeyAZICQYIAZNNUDH-UHFFFAOYSA-N
XLogP6.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylphenyl)dodecanamide
CID 4067786
3-methyl-4-octylphenol
CID 67863636
3-methyl-4-octylaniline
CID 139523093
[2,3-di(nonyl)phenyl]urea
CID 175243703
N-[4-(carbamoylamino)phenyl]-3-(2,4-dimethylphenyl)propanamide
CID 33155134
4,6-dihexylbenzene-1,3-dicarboxamide
CID 140600774
tetradecyl 2-(3,4-dimethylanilino)-2-oxoacetate
CID 6423294
(E)-2-methyl-N-(3-methyl-4-propylphenyl)but-2-enamide
CID 142913315
(2,3,4,5,6-pentakis-decylphenyl)urea
CID 173437569
2-amino-N-(4-ethyl-3-methylphenyl)acetamide
CID 130495605
(3-hexoxyphenyl)urea
CID 102387253
N-(4-hydroxy-3-methylphenyl)tetradecanamide
CID 91054297

Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-tridecylphenyl)urea?
The IUPAC name of (3-methyl-4-tridecylphenyl)urea (CID 59703142) is (3-methyl-4-tridecylphenyl)urea.
What is the SMILES notation for (3-methyl-4-tridecylphenyl)urea?
The canonical SMILES for (3-methyl-4-tridecylphenyl)urea is CCCCCCCCCCCCCc1ccc(NC(N)=O)cc1C.
What is the InChIKey of (3-methyl-4-tridecylphenyl)urea?
The InChIKey is AZICQYIAZNNUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-15-16-20(17-18(19)2)23-21(22)24/h15-17H,3-14H2,1-2H3,(H3,22,23,24).
What are the key properties of (3-methyl-4-tridecylphenyl)urea?
(3-methyl-4-tridecylphenyl)urea has a molecular weight of 332.53 g/mol, XLogP of 6.34, 13 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-tridecylphenyl)urea is sourced from PubChem (CID 59703142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).