1-[(4-methoxyphenyl)methyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea

C20H26N2O3 — CID 112974425

IUPAC1-[(4-methoxyphenyl)methyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
SMILESCOc1ccc(CNC(=O)NCCOc2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C20H26N2O3/c1-14-11-16(3)19(12-15(14)2)25-10-9-21-20(23)22-13-17-5-7-18(24-4)8-6-17/h5-8,11-12H,9-10,13H2,1-4H3,(H2,21,22,23)
InChIKeyTYNWPJBYCFZUJF-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.50
Rot. Bonds7

About 1-[(4-methoxyphenyl)methyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea

1-[(4-methoxyphenyl)methyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea (PubChem CID 112974425) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
PubChem CID112974425
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
SMILESCOc1ccc(CNC(=O)NCCOc2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C20H26N2O3/c1-14-11-16(3)19(12-15(14)2)25-10-9-21-20(23)22-13-17-5-7-18(24-4)8-6-17/h5-8,11-12H,9-10,13H2,1-4H3,(H2,21,22,23)
InChIKeyTYNWPJBYCFZUJF-UHFFFAOYSA-N
XLogP3.50
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.50
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-(3,4-dimethylphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 112974093
1-[(2-methoxyphenyl)methyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974424
1-[2-(3-methoxyphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 38885483
1-[2-(2,5-dimethylphenoxy)ethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 112973495
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 112976989
N-[2-(4-methoxyphenoxy)ethyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978061
1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 112976506
1-[(4-methoxyphenyl)methyl]-3-propylurea
CID 41355184
1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971392
1-(3-butoxypropyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868142
methyl N-[2-(2,4,5-trimethylphenoxy)ethyl]carbamate
CID 113101254
1-(3-phenylpropyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974458

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea (CID 112974425) is 1-[(4-methoxyphenyl)methyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea is COc1ccc(CNC(=O)NCCOc2cc(C)c(C)cc2C)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea?
The InChIKey is TYNWPJBYCFZUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14-11-16(3)19(12-15(14)2)25-10-9-21-20(23)22-13-17-5-7-18(24-4)8-6-17/h5-8,11-12H,9-10,13H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea?
1-[(4-methoxyphenyl)methyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea has a molecular weight of 342.44 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea is sourced from PubChem (CID 112974425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).