1-methyl-1-[(2-methylphenyl)methyl]-3-naphthalen-2-ylurea

C20H20N2O — CID 78871918

IUPAC1-methyl-1-[(2-methylphenyl)methyl]-3-naphthalen-2-ylurea
SMILESCc1ccccc1CN(C)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H20N2O/c1-15-7-3-4-10-18(15)14-22(2)20(23)21-19-12-11-16-8-5-6-9-17(16)13-19/h3-13H,14H2,1-2H3,(H,21,23)
InChIKeyLJHDNUGJRWASNK-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.81
Rot. Bonds3

About 1-methyl-1-[(2-methylphenyl)methyl]-3-naphthalen-2-ylurea

1-methyl-1-[(2-methylphenyl)methyl]-3-naphthalen-2-ylurea (PubChem CID 78871918) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-methyl-1-[(2-methylphenyl)methyl]-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-methyl-1-[(2-methylphenyl)methyl]-3-naphthalen-2-ylurea
PubChem CID78871918
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name1-methyl-1-[(2-methylphenyl)methyl]-3-naphthalen-2-ylurea
SMILESCc1ccccc1CN(C)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H20N2O/c1-15-7-3-4-10-18(15)14-22(2)20(23)21-19-12-11-16-8-5-6-9-17(16)13-19/h3-13H,14H2,1-2H3,(H,21,23)
InChIKeyLJHDNUGJRWASNK-UHFFFAOYSA-N
XLogP4.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-dichlorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 24528577
N-[3-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]phenyl]acetamide
CID 86987874
3-(3,5-difluorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 86988105
1,3-dimethyl-1-[(2-methylphenyl)methyl]urea
CID 23563161
1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-naphthalen-2-ylurea
CID 78871745
N-methyl-4-[[methyl(naphthalen-2-ylcarbamoyl)amino]methyl]benzamide
CID 78871682
1-methyl-1-[(2-methylphenyl)methyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]urea
CID 86987903
3-(3-chloro-4-methylphenyl)-1-[(2-fluorophenyl)methyl]-1-methylurea
CID 2476713
1-[(2,4-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea
CID 46577510
N-(4-bromo-2-methylphenyl)-2-[methyl(naphthalen-2-ylcarbamoyl)amino]acetamide
CID 78871865
1-[(2-hydroxyphenyl)methyl]-3-(1H-indol-5-yl)-1-methylurea
CID 56801338
3-(3-bromo-4-methylphenyl)-1-[(2-methoxyphenyl)methyl]-1-methylurea
CID 78874633

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(2-methylphenyl)methyl]-3-naphthalen-2-ylurea?
The IUPAC name of 1-methyl-1-[(2-methylphenyl)methyl]-3-naphthalen-2-ylurea (CID 78871918) is 1-methyl-1-[(2-methylphenyl)methyl]-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-methyl-1-[(2-methylphenyl)methyl]-3-naphthalen-2-ylurea?
The canonical SMILES for 1-methyl-1-[(2-methylphenyl)methyl]-3-naphthalen-2-ylurea is Cc1ccccc1CN(C)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 1-methyl-1-[(2-methylphenyl)methyl]-3-naphthalen-2-ylurea?
The InChIKey is LJHDNUGJRWASNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-15-7-3-4-10-18(15)14-22(2)20(23)21-19-12-11-16-8-5-6-9-17(16)13-19/h3-13H,14H2,1-2H3,(H,21,23).
What are the key properties of 1-methyl-1-[(2-methylphenyl)methyl]-3-naphthalen-2-ylurea?
1-methyl-1-[(2-methylphenyl)methyl]-3-naphthalen-2-ylurea has a molecular weight of 304.39 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(2-methylphenyl)methyl]-3-naphthalen-2-ylurea is sourced from PubChem (CID 78871918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).