1-[2-(3-methoxyphenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea

C20H26N2O3 — CID 108884018

IUPAC1-[2-(3-methoxyphenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea
SMILESCOc1cccc(CCNC(=O)NCCCOc2ccccc2C)c1
InChIInChI=1S/C20H26N2O3/c1-16-7-3-4-10-19(16)25-14-6-12-21-20(23)22-13-11-17-8-5-9-18(15-17)24-2/h3-5,7-10,15H,6,11-14H2,1-2H3,(H2,21,22,23)
InChIKeyNAZWLTVVUHNSBE-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.31
Rot. Bonds9

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

1-[2-(3-methoxyphenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea (PubChem CID 108884018) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea
PubChem CID108884018
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-[2-(3-methoxyphenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea
SMILESCOc1cccc(CCNC(=O)NCCCOc2ccccc2C)c1
InChIInChI=1S/C20H26N2O3/c1-16-7-3-4-10-19(16)25-14-6-12-21-20(23)22-13-11-17-8-5-9-18(15-17)24-2/h3-5,7-10,15H,6,11-14H2,1-2H3,(H2,21,22,23)
InChIKeyNAZWLTVVUHNSBE-UHFFFAOYSA-N
XLogP3.31
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-chlorophenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea
CID 108884020
1-[2-(2,6-dimethylphenoxy)ethyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 112973291
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(2-methylphenoxy)ethyl]urea
CID 60544165
1-[2-(3-methoxyphenyl)ethyl]-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974288
1-ethyl-3-[3-(2-methylphenoxy)propyl]urea
CID 108883834
methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]propanoate
CID 108901083
1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylurea
CID 47248692
phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
CID 110755565
1-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108867745
1-[3-(2,6-dimethylphenoxy)propyl]-3-[2-(3-hydroxyphenyl)ethyl]urea
CID 86883297
1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883704
2-(2,5-dimethylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977879

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea?
The IUPAC name of 1-[2-(3-methoxyphenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea (CID 108884018) is 1-[2-(3-methoxyphenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea?
The canonical SMILES for 1-[2-(3-methoxyphenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea is COc1cccc(CCNC(=O)NCCCOc2ccccc2C)c1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea?
The InChIKey is NAZWLTVVUHNSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-16-7-3-4-10-19(16)25-14-6-12-21-20(23)22-13-11-17-8-5-9-18(15-17)24-2/h3-5,7-10,15H,6,11-14H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-[2-(3-methoxyphenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea?
1-[2-(3-methoxyphenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea has a molecular weight of 342.44 g/mol, XLogP of 3.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea is sourced from PubChem (CID 108884018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).