1-methyl-1-phenyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea

C19H24N2O2 — CID 112974328

IUPAC1-methyl-1-phenyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
SMILESCc1ccc(C)c(OCCNC(=O)N(C)c2ccccc2)c1C
InChIInChI=1S/C19H24N2O2/c1-14-10-11-15(2)18(16(14)3)23-13-12-20-19(22)21(4)17-8-6-5-7-9-17/h5-11H,12-13H2,1-4H3,(H,20,22)
InChIKeyAMBFRXPTMOUARV-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.84
Rot. Bonds5

About 1-methyl-1-phenyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea

1-methyl-1-phenyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea (PubChem CID 112974328) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-methyl-1-phenyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-methyl-1-phenyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
PubChem CID112974328
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-methyl-1-phenyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
SMILESCc1ccc(C)c(OCCNC(=O)N(C)c2ccccc2)c1C
InChIInChI=1S/C19H24N2O2/c1-14-10-11-15(2)18(16(14)3)23-13-12-20-19(22)21(4)17-8-6-5-7-9-17/h5-11H,12-13H2,1-4H3,(H,20,22)
InChIKeyAMBFRXPTMOUARV-UHFFFAOYSA-N
XLogP3.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[3-(2-methylphenoxy)propyl]-1-phenylurea
CID 108883830
1-benzyl-1-propan-2-yl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974315
3-[3-(2,6-dimethylphenoxy)propyl]-1-(4-hydroxyphenyl)-1-methylurea
CID 108881752
2-phenyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide
CID 113101115
1-[2-(dimethylamino)ethyl]-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974258
3-[2-(3-ethylphenoxy)ethyl]-1-methyl-1-phenylurea
CID 112971905
1-methyl-1-(2-pyridin-4-ylethyl)-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974290
2-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]propanamide
CID 113101086
3-[2-[[2-(2,3-dimethylphenoxy)ethanethioyl]amino]ethyl]-1-methyl-1-phenylurea
CID 54217764
1-[(2-methylphenyl)methyl]-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974267
1-ethyl-1-phenyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974629
3-[(4-chloro-3,5-dimethylphenoxy)methyl]-1-methyl-1-phenylurea
CID 108877992

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-phenyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea?
The IUPAC name of 1-methyl-1-phenyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea (CID 112974328) is 1-methyl-1-phenyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea.
What is the SMILES notation for 1-methyl-1-phenyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea?
The canonical SMILES for 1-methyl-1-phenyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea is Cc1ccc(C)c(OCCNC(=O)N(C)c2ccccc2)c1C.
What is the InChIKey of 1-methyl-1-phenyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea?
The InChIKey is AMBFRXPTMOUARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14-10-11-15(2)18(16(14)3)23-13-12-20-19(22)21(4)17-8-6-5-7-9-17/h5-11H,12-13H2,1-4H3,(H,20,22).
What are the key properties of 1-methyl-1-phenyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea?
1-methyl-1-phenyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea has a molecular weight of 312.41 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-phenyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea is sourced from PubChem (CID 112974328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).