1-(3-methoxyphenyl)-3-[2-(2-methylphenyl)ethyl]urea

C17H20N2O2 — CID 42029830

IUPAC1-(3-methoxyphenyl)-3-[2-(2-methylphenyl)ethyl]urea
SMILESCOc1cccc(NC(=O)NCCc2ccccc2C)c1
InChIInChI=1S/C17H20N2O2/c1-13-6-3-4-7-14(13)10-11-18-17(20)19-15-8-5-9-16(12-15)21-2/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20)
InChIKeyDXBUCPWLFNVVEP-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.37
Rot. Bonds5

About 1-(3-methoxyphenyl)-3-[2-(2-methylphenyl)ethyl]urea

1-(3-methoxyphenyl)-3-[2-(2-methylphenyl)ethyl]urea (PubChem CID 42029830) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[2-(2-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[2-(2-methylphenyl)ethyl]urea
PubChem CID42029830
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(3-methoxyphenyl)-3-[2-(2-methylphenyl)ethyl]urea
SMILESCOc1cccc(NC(=O)NCCc2ccccc2C)c1
InChIInChI=1S/C17H20N2O2/c1-13-6-3-4-7-14(13)10-11-18-17(20)19-15-8-5-9-16(12-15)21-2/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20)
InChIKeyDXBUCPWLFNVVEP-UHFFFAOYSA-N
XLogP3.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 2207277
1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylphenyl)urea
CID 6464688
1-[2-(2-methylphenyl)ethyl]-3-(4-phenoxyphenyl)urea
CID 108899665
N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide
CID 47140507
1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
CID 5297462
1-(4-anilinophenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108899723
methyl 4-[2-(2-methylphenyl)ethylcarbamoylamino]benzoate
CID 108899743
1-(3-methoxyphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea
CID 35274063
1-(3,5-dimethoxyphenyl)-3-[2-(2-ethoxyphenyl)ethyl]urea
CID 3502987
3-N-(3-methoxyphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054252
1-(3-methoxyphenyl)-3-[3-(N-methylanilino)propyl]urea
CID 51290296
1-[3-(dimethylamino)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108901015

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[2-(2-methylphenyl)ethyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[2-(2-methylphenyl)ethyl]urea (CID 42029830) is 1-(3-methoxyphenyl)-3-[2-(2-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[2-(2-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[2-(2-methylphenyl)ethyl]urea is COc1cccc(NC(=O)NCCc2ccccc2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[2-(2-methylphenyl)ethyl]urea?
The InChIKey is DXBUCPWLFNVVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13-6-3-4-7-14(13)10-11-18-17(20)19-15-8-5-9-16(12-15)21-2/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(3-methoxyphenyl)-3-[2-(2-methylphenyl)ethyl]urea?
1-(3-methoxyphenyl)-3-[2-(2-methylphenyl)ethyl]urea has a molecular weight of 284.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[2-(2-methylphenyl)ethyl]urea is sourced from PubChem (CID 42029830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).