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

C18H22N2O2 — CID 84518898

IUPAC1-(2-methoxyphenyl)-3-[3-(3-methylphenyl)propyl]urea
SMILESCOc1ccccc1NC(=O)NCCCc1cccc(C)c1
InChIInChI=1S/C18H22N2O2/c1-14-7-5-8-15(13-14)9-6-12-19-18(21)20-16-10-3-4-11-17(16)22-2/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H2,19,20,21)
InChIKeySHOUGHZRWNPZKO-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.76
Rot. Bonds6

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

1-(2-methoxyphenyl)-3-[3-(3-methylphenyl)propyl]urea (PubChem CID 84518898) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[3-(3-methylphenyl)propyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[3-(3-methylphenyl)propyl]urea
PubChem CID84518898
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-(2-methoxyphenyl)-3-[3-(3-methylphenyl)propyl]urea
SMILESCOc1ccccc1NC(=O)NCCCc1cccc(C)c1
InChIInChI=1S/C18H22N2O2/c1-14-7-5-8-15(13-14)9-6-12-19-18(21)20-16-10-3-4-11-17(16)22-2/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H2,19,20,21)
InChIKeySHOUGHZRWNPZKO-UHFFFAOYSA-N
XLogP3.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminopropyl)-3-(2-methoxyphenyl)urea
CID 62267554
1-[3-(2-ethoxyphenyl)propyl]-3-(2-methoxyphenyl)urea
CID 100747319
1-[4-(2-amino-4-pyridinyl)butyl]-3-(2-methoxyphenyl)urea
CID 136562007
1-(2-methoxyphenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881211
1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883704
1-(2-methoxyphenyl)-2-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide
CID 111077718
1-(3-cyanopropyl)-3-(2-methoxyphenyl)urea
CID 62666828
1-(2,6-dimethoxyphenyl)-3-(4-phenylbutyl)urea
CID 108868115
1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylphenyl)urea
CID 6464688
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719
1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea
CID 24818671
1-(2-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
CID 974359

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[3-(3-methylphenyl)propyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[3-(3-methylphenyl)propyl]urea (CID 84518898) is 1-(2-methoxyphenyl)-3-[3-(3-methylphenyl)propyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[3-(3-methylphenyl)propyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[3-(3-methylphenyl)propyl]urea is COc1ccccc1NC(=O)NCCCc1cccc(C)c1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[3-(3-methylphenyl)propyl]urea?
The InChIKey is SHOUGHZRWNPZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14-7-5-8-15(13-14)9-6-12-19-18(21)20-16-10-3-4-11-17(16)22-2/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(2-methoxyphenyl)-3-[3-(3-methylphenyl)propyl]urea?
1-(2-methoxyphenyl)-3-[3-(3-methylphenyl)propyl]urea has a molecular weight of 298.39 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[3-(3-methylphenyl)propyl]urea is sourced from PubChem (CID 84518898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).