1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea

C19H18N2O — CID 108894077

IUPAC1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea
SMILESCc1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1C
InChIInChI=1S/C19H18N2O/c1-13-7-9-17(11-14(13)2)20-19(22)21-18-10-8-15-5-3-4-6-16(15)12-18/h3-12H,1-2H3,(H2,20,21,22)
InChIKeyOCSXERTUKGJCQU-UHFFFAOYSA-N
MW290.37 g/mol
LogP5.10
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea

1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea (PubChem CID 108894077) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea
PubChem CID108894077
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea
SMILESCc1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1C
InChIInChI=1S/C19H18N2O/c1-13-7-9-17(11-14(13)2)20-19(22)21-18-10-8-15-5-3-4-6-16(15)12-18/h3-12H,1-2H3,(H2,20,21,22)
InChIKeyOCSXERTUKGJCQU-UHFFFAOYSA-N
XLogP5.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.37
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-dimethylanilino)-N-naphthalen-2-ylpropanamide
CID 78666889
1-(4-methyl-3-nitrophenyl)-3-naphthalen-2-ylurea
CID 6611556
1-methyl-3-naphthalen-2-ylurea
CID 3454681
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea
CID 19165586
1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea
CID 108884834
1-(3,5-dihydroxyphenyl)-3-naphthalen-2-ylurea
CID 108895519
1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea
CID 2985670
1-(3,5-dihydroxyphenyl)-3-(3,4-dimethylphenyl)urea
CID 108895471
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
CID 27870039
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
CID 769283
N-(3,4-dimethylphenyl)naphthalen-2-amine;N-methylnaphthalen-2-amine
CID 145088499
(2S)-2-(3,4-dimethylphenoxy)-N-naphthalen-2-ylbutanamide
CID 28636461

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea (CID 108894077) is 1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea is Cc1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea?
The InChIKey is OCSXERTUKGJCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-13-7-9-17(11-14(13)2)20-19(22)21-18-10-8-15-5-3-4-6-16(15)12-18/h3-12H,1-2H3,(H2,20,21,22).
What are the key properties of 1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea?
1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea has a molecular weight of 290.37 g/mol, XLogP of 5.10, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea is sourced from PubChem (CID 108894077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).