1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea

C19H24N2O3 — CID 112970038

IUPAC1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C19H24N2O3/c1-15-3-7-18(8-4-15)24-14-13-21-19(22)20-12-11-16-5-9-17(23-2)10-6-16/h3-10H,11-14H2,1-2H3,(H2,20,21,22)
InChIKeyWSOCIHQPPPOVLZ-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.92
Rot. Bonds8

About 1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea

1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea (PubChem CID 112970038) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea
PubChem CID112970038
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C19H24N2O3/c1-15-3-7-18(8-4-15)24-14-13-21-19(22)20-12-11-16-5-9-17(23-2)10-6-16/h3-10H,11-14H2,1-2H3,(H2,20,21,22)
InChIKeyWSOCIHQPPPOVLZ-UHFFFAOYSA-N
XLogP2.92
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.92
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-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 727799
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea
CID 51244378
N-[2-(4-methoxyphenoxy)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 108518165
1-(3-methoxypropyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 108891008
1-[2-(2,5-dimethylphenoxy)ethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 112973495
1-ethyl-3-[2-(4-methylphenoxy)ethyl]urea
CID 47103272
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972385
1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 112976506
1-[(4-ethoxyphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108884612
1-[(4-ethoxyphenoxy)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108890945
1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974607
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108907884

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea (CID 112970038) is 1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea is COc1ccc(CCNC(=O)NCCOc2ccc(C)cc2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea?
The InChIKey is WSOCIHQPPPOVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-15-3-7-18(8-4-15)24-14-13-21-19(22)20-12-11-16-5-9-17(23-2)10-6-16/h3-10H,11-14H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea?
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea has a molecular weight of 328.41 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea is sourced from PubChem (CID 112970038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).