1-methyl-3-[(2-methylphenyl)methyl]-1-(1-phenylethyl)urea

C18H22N2O — CID 86914055

IUPAC1-methyl-3-[(2-methylphenyl)methyl]-1-(1-phenylethyl)urea
SMILESCc1ccccc1CNC(=O)N(C)C(C)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-14-9-7-8-12-17(14)13-19-18(21)20(3)15(2)16-10-5-4-6-11-16/h4-12,15H,13H2,1-3H3,(H,19,21)
InChIKeyHYBFOVAMAZEOHH-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.90
Rot. Bonds4

About 1-methyl-3-[(2-methylphenyl)methyl]-1-(1-phenylethyl)urea

1-methyl-3-[(2-methylphenyl)methyl]-1-(1-phenylethyl)urea (PubChem CID 86914055) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-methyl-3-[(2-methylphenyl)methyl]-1-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-methyl-3-[(2-methylphenyl)methyl]-1-(1-phenylethyl)urea
PubChem CID86914055
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-methyl-3-[(2-methylphenyl)methyl]-1-(1-phenylethyl)urea
SMILESCc1ccccc1CNC(=O)N(C)C(C)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-14-9-7-8-12-17(14)13-19-18(21)20(3)15(2)16-10-5-4-6-11-16/h4-12,15H,13H2,1-3H3,(H,19,21)
InChIKeyHYBFOVAMAZEOHH-UHFFFAOYSA-N
XLogP3.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-[2-(2-methylphenyl)ethyl]-1-(1-phenylethyl)urea
CID 18144066
N,2-dimethyl-N-(1-phenylethyl)benzamide
CID 78799210
3-[(2-methylphenyl)methyl]-1,1-bis(2-methylpropyl)urea
CID 108897239
3-butyl-1-methyl-1-(1-phenylethyl)urea
CID 102439407
1-[1-(4-fluorophenyl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-1-methylurea
CID 134006438
2-[ethyl-[(2-methylphenyl)methylcarbamoyl]amino]acetic acid
CID 61205004
2-[methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119913207
4-[(2-methylphenyl)methylcarbamoyl-propan-2-ylamino]butanoic acid
CID 61204814
3-benzyl-1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 134040552
3-(2,6-dipropylphenyl)-1-methyl-1-(1-phenylethyl)urea
CID 142476552
1-[1-(3-chlorophenyl)ethyl]-3-[[2-(ethoxymethyl)phenyl]methyl]-1-methylurea
CID 55909962
methyl(1-phenylethyl)carbamic acid
CID 67062794

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2-methylphenyl)methyl]-1-(1-phenylethyl)urea?
The IUPAC name of 1-methyl-3-[(2-methylphenyl)methyl]-1-(1-phenylethyl)urea (CID 86914055) is 1-methyl-3-[(2-methylphenyl)methyl]-1-(1-phenylethyl)urea.
What is the SMILES notation for 1-methyl-3-[(2-methylphenyl)methyl]-1-(1-phenylethyl)urea?
The canonical SMILES for 1-methyl-3-[(2-methylphenyl)methyl]-1-(1-phenylethyl)urea is Cc1ccccc1CNC(=O)N(C)C(C)c1ccccc1.
What is the InChIKey of 1-methyl-3-[(2-methylphenyl)methyl]-1-(1-phenylethyl)urea?
The InChIKey is HYBFOVAMAZEOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14-9-7-8-12-17(14)13-19-18(21)20(3)15(2)16-10-5-4-6-11-16/h4-12,15H,13H2,1-3H3,(H,19,21).
What are the key properties of 1-methyl-3-[(2-methylphenyl)methyl]-1-(1-phenylethyl)urea?
1-methyl-3-[(2-methylphenyl)methyl]-1-(1-phenylethyl)urea has a molecular weight of 282.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2-methylphenyl)methyl]-1-(1-phenylethyl)urea is sourced from PubChem (CID 86914055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).