1-[2-(3,4-dimethylphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea

C19H24N2O3 — CID 112974093

IUPAC1-[2-(3,4-dimethylphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NCCOc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H24N2O3/c1-14-4-7-18(12-15(14)2)24-11-10-20-19(22)21-13-16-5-8-17(23-3)9-6-16/h4-9,12H,10-11,13H2,1-3H3,(H2,20,21,22)
InChIKeyANLOHYLALDOUPM-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.19
Rot. Bonds7

About 1-[2-(3,4-dimethylphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea

1-[2-(3,4-dimethylphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 112974093) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(3,4-dimethylphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea
PubChem CID112974093
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-[2-(3,4-dimethylphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NCCOc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H24N2O3/c1-14-4-7-18(12-15(14)2)24-11-10-20-19(22)21-13-16-5-8-17(23-3)9-6-16/h4-9,12H,10-11,13H2,1-3H3,(H2,20,21,22)
InChIKeyANLOHYLALDOUPM-UHFFFAOYSA-N
XLogP3.19
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.19
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-[(4-methoxyphenyl)methyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974425
1-[2-(3-methoxyphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 38885483
1-benzyl-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 38885485
1-[(4-methoxyphenyl)methyl]-3-propylurea
CID 41355184
1-[(4-bromophenyl)methyl]-3-[(3,4-dimethylphenoxy)methyl]urea
CID 108879296
N-[2-(4-methoxyphenoxy)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 108518165
1-(3-butoxypropyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868142
1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974607
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970038
1-[2-(3,4-dimethylphenoxy)ethyl]-3-(3,4-dimethylphenyl)urea
CID 112974155
3-fluoro-N-[2-[(4-methoxyphenyl)methylcarbamoylamino]ethyl]-4-methylbenzamide
CID 32544617
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 112976989

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[2-(3,4-dimethylphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea (CID 112974093) is 1-[2-(3,4-dimethylphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(3,4-dimethylphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[2-(3,4-dimethylphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea is COc1ccc(CNC(=O)NCCOc2ccc(C)c(C)c2)cc1.
What is the InChIKey of 1-[2-(3,4-dimethylphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is ANLOHYLALDOUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14-4-7-18(12-15(14)2)24-11-10-20-19(22)21-13-16-5-8-17(23-3)9-6-16/h4-9,12H,10-11,13H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-[2-(3,4-dimethylphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea?
1-[2-(3,4-dimethylphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea has a molecular weight of 328.41 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 112974093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).