1-[(4-ethylphenyl)methyl]-1-methyl-3-(3-methylphenyl)urea

C18H22N2O — CID 27868172

IUPAC1-[(4-ethylphenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
SMILESCCc1ccc(CN(C)C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C18H22N2O/c1-4-15-8-10-16(11-9-15)13-20(3)18(21)19-17-7-5-6-14(2)12-17/h5-12H,4,13H2,1-3H3,(H,19,21)
InChIKeyZENKCCRTKIIFIO-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.22
Rot. Bonds4

About 1-[(4-ethylphenyl)methyl]-1-methyl-3-(3-methylphenyl)urea

1-[(4-ethylphenyl)methyl]-1-methyl-3-(3-methylphenyl)urea (PubChem CID 27868172) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]-1-methyl-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
PubChem CID27868172
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-[(4-ethylphenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
SMILESCCc1ccc(CN(C)C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C18H22N2O/c1-4-15-8-10-16(11-9-15)13-20(3)18(21)19-17-7-5-6-14(2)12-17/h5-12H,4,13H2,1-3H3,(H,19,21)
InChIKeyZENKCCRTKIIFIO-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-bromophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 31770987
1-[[4-(aminomethyl)phenyl]methyl]-1-methyl-3-(3-methylphenyl)urea
CID 60921949
1-[(4-chlorophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 27868392
1-methyl-3-(3-methylphenyl)-1-[(4-methylsulfanylphenyl)methyl]urea
CID 27868795
N-methyl-4-[[methyl-[(3-methylphenyl)carbamoyl]amino]methyl]benzamide
CID 27734618
1-butyl-1-methyl-3-(3-methylphenyl)urea
CID 5220454
1-[(2-aminophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 43458533
1-(2-aminoethyl)-1-methyl-3-(3-methylphenyl)urea
CID 61350070
ethyl 2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetate
CID 47406124
1-(3-bromopropyl)-1-methyl-3-(3-methylphenyl)urea
CID 106441564
3-(3-chlorophenyl)-1-[[4-(dimethylamino)phenyl]methyl]-1-methylurea
CID 27871674
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(3-methylphenyl)urea
CID 24528872

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]-1-methyl-3-(3-methylphenyl)urea?
The IUPAC name of 1-[(4-ethylphenyl)methyl]-1-methyl-3-(3-methylphenyl)urea (CID 27868172) is 1-[(4-ethylphenyl)methyl]-1-methyl-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]-1-methyl-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]-1-methyl-3-(3-methylphenyl)urea is CCc1ccc(CN(C)C(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]-1-methyl-3-(3-methylphenyl)urea?
The InChIKey is ZENKCCRTKIIFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-15-8-10-16(11-9-15)13-20(3)18(21)19-17-7-5-6-14(2)12-17/h5-12H,4,13H2,1-3H3,(H,19,21).
What are the key properties of 1-[(4-ethylphenyl)methyl]-1-methyl-3-(3-methylphenyl)urea?
1-[(4-ethylphenyl)methyl]-1-methyl-3-(3-methylphenyl)urea has a molecular weight of 282.39 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]-1-methyl-3-(3-methylphenyl)urea is sourced from PubChem (CID 27868172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).