1,1-dimethyl-3-[2-(4-methylphenyl)naphthalen-1-yl]urea

C20H20N2O — CID 132939046

IUPAC1,1-dimethyl-3-[2-(4-methylphenyl)naphthalen-1-yl]urea
SMILESCc1ccc(-c2ccc3ccccc3c2NC(=O)N(C)C)cc1
InChIInChI=1S/C20H20N2O/c1-14-8-10-16(11-9-14)18-13-12-15-6-4-5-7-17(15)19(18)21-20(23)22(2)3/h4-13H,1-3H3,(H,21,23)
InChIKeyWPJQXVGJAZZYFC-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.91
Rot. Bonds2

About 1,1-dimethyl-3-[2-(4-methylphenyl)naphthalen-1-yl]urea

1,1-dimethyl-3-[2-(4-methylphenyl)naphthalen-1-yl]urea (PubChem CID 132939046) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 1,1-dimethyl-3-[2-(4-methylphenyl)naphthalen-1-yl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[2-(4-methylphenyl)naphthalen-1-yl]urea
PubChem CID132939046
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name1,1-dimethyl-3-[2-(4-methylphenyl)naphthalen-1-yl]urea
SMILESCc1ccc(-c2ccc3ccccc3c2NC(=O)N(C)C)cc1
InChIInChI=1S/C20H20N2O/c1-14-8-10-16(11-9-14)18-13-12-15-6-4-5-7-17(15)19(18)21-20(23)22(2)3/h4-13H,1-3H3,(H,21,23)
InChIKeyWPJQXVGJAZZYFC-UHFFFAOYSA-N
XLogP4.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-naphthalen-2-ylnaphthalen-1-yl)acetamide
CID 101477618
N-[2,6-bis(4-methylphenyl)phenyl]acetamide
CID 11278492
1-[1-(methoxymethyl)cyclopropyl]-1-methyl-3-(2-methylnaphthalen-1-yl)urea
CID 72853713
methyl 1-(4-methylphenyl)naphthalene-2-carboxylate
CID 139635247
1-(1-hydroxynaphthalen-2-yl)-3-(4-methylphenyl)propane-1,3-dione
CID 939829
methyl 1-[(4-methylphenyl)sulfonylamino]naphthalene-2-carboxylate
CID 169372846
N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-1-ylacetamide
CID 9247060
ethane;2-ethyl-N-(4-methylphenyl)naphthalen-1-amine
CID 91388045
phenanthrene;toluene
CID 158347700
ethyl N-(2-methylnaphthalen-1-yl)carbamate
CID 171853862
methyl 2-[(2-methylnaphthalen-1-yl)amino]-2-oxoacetate
CID 126500414
2-[(2-methylnaphthalen-1-yl)amino]propanoic acid
CID 22906744

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[2-(4-methylphenyl)naphthalen-1-yl]urea?
The IUPAC name of 1,1-dimethyl-3-[2-(4-methylphenyl)naphthalen-1-yl]urea (CID 132939046) is 1,1-dimethyl-3-[2-(4-methylphenyl)naphthalen-1-yl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[2-(4-methylphenyl)naphthalen-1-yl]urea?
The canonical SMILES for 1,1-dimethyl-3-[2-(4-methylphenyl)naphthalen-1-yl]urea is Cc1ccc(-c2ccc3ccccc3c2NC(=O)N(C)C)cc1.
What is the InChIKey of 1,1-dimethyl-3-[2-(4-methylphenyl)naphthalen-1-yl]urea?
The InChIKey is WPJQXVGJAZZYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-14-8-10-16(11-9-14)18-13-12-15-6-4-5-7-17(15)19(18)21-20(23)22(2)3/h4-13H,1-3H3,(H,21,23).
What are the key properties of 1,1-dimethyl-3-[2-(4-methylphenyl)naphthalen-1-yl]urea?
1,1-dimethyl-3-[2-(4-methylphenyl)naphthalen-1-yl]urea has a molecular weight of 304.39 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[2-(4-methylphenyl)naphthalen-1-yl]urea is sourced from PubChem (CID 132939046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).