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

C19H24N2O2 — CID 112974475

IUPAC1-(4-methylphenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
SMILESCc1ccc(NC(=O)NCCOc2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C19H24N2O2/c1-13-5-7-17(8-6-13)21-19(22)20-9-10-23-18-12-15(3)14(2)11-16(18)4/h5-8,11-12H,9-10H2,1-4H3,(H2,20,21,22)
InChIKeyUWALYFBSBIOMRW-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.12
Rot. Bonds5

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

1-(4-methylphenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea (PubChem CID 112974475) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
PubChem CID112974475
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-(4-methylphenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
SMILESCc1ccc(NC(=O)NCCOc2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C19H24N2O2/c1-13-5-7-17(8-6-13)21-19(22)20-9-10-23-18-12-15(3)14(2)11-16(18)4/h5-8,11-12H,9-10H2,1-4H3,(H2,20,21,22)
InChIKeyUWALYFBSBIOMRW-UHFFFAOYSA-N
XLogP4.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.12
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-(3,4-difluorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974535
N-[3-[2-(2,4,5-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112974507
1-(4-chlorophenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973699
1-(4-cyanophenyl)-3-[2-(2,5-dimethylphenoxy)ethyl]urea
CID 112973594
1-(3-bromo-4-methylphenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973708
1-(2-chlorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974484
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea
CID 51244378
1-(3,5-dimethylphenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
CID 112975337
1-(4-bromophenyl)-3-[2-(2-chloro-5-methylphenoxy)ethyl]urea
CID 112976900
methyl N-[2-(2,4,5-trimethylphenoxy)ethyl]carbamate
CID 113101254
1-[2-(dimethylamino)ethyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974406
1-[2-(3,4-dimethylphenoxy)ethyl]-3-(3,4-dimethylphenyl)urea
CID 112974155

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea?
The IUPAC name of 1-(4-methylphenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea (CID 112974475) is 1-(4-methylphenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea?
The canonical SMILES for 1-(4-methylphenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea is Cc1ccc(NC(=O)NCCOc2cc(C)c(C)cc2C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea?
The InChIKey is UWALYFBSBIOMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13-5-7-17(8-6-13)21-19(22)20-9-10-23-18-12-15(3)14(2)11-16(18)4/h5-8,11-12H,9-10H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-(4-methylphenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea?
1-(4-methylphenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea has a molecular weight of 312.41 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea is sourced from PubChem (CID 112974475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).