1-[3-(2,6-dimethylphenoxy)propyl]-3-(3-phenylpropyl)urea

C21H28N2O2 — CID 108881887

IUPAC1-[3-(2,6-dimethylphenoxy)propyl]-3-(3-phenylpropyl)urea
SMILESCc1cccc(C)c1OCCCNC(=O)NCCCc1ccccc1
InChIInChI=1S/C21H28N2O2/c1-17-9-6-10-18(2)20(17)25-16-8-15-23-21(24)22-14-7-13-19-11-4-3-5-12-19/h3-6,9-12H,7-8,13-16H2,1-2H3,(H2,22,23,24)
InChIKeyORRDWOCUKQLCQG-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.00
Rot. Bonds9

About 1-[3-(2,6-dimethylphenoxy)propyl]-3-(3-phenylpropyl)urea

1-[3-(2,6-dimethylphenoxy)propyl]-3-(3-phenylpropyl)urea (PubChem CID 108881887) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[3-(2,6-dimethylphenoxy)propyl]-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[3-(2,6-dimethylphenoxy)propyl]-3-(3-phenylpropyl)urea
PubChem CID108881887
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-[3-(2,6-dimethylphenoxy)propyl]-3-(3-phenylpropyl)urea
SMILESCc1cccc(C)c1OCCCNC(=O)NCCCc1ccccc1
InChIInChI=1S/C21H28N2O2/c1-17-9-6-10-18(2)20(17)25-16-8-15-23-21(24)22-14-7-13-19-11-4-3-5-12-19/h3-6,9-12H,7-8,13-16H2,1-2H3,(H2,22,23,24)
InChIKeyORRDWOCUKQLCQG-UHFFFAOYSA-N
XLogP4.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.00
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-(2,6-dimethylphenoxy)propyl]-3-[2-(3-hydroxyphenyl)ethyl]urea
CID 86883297
1-(3-phenylpropyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974458
1-[3-(2,6-dimethylphenoxy)propyl]-3-(2-methylpropyl)urea
CID 108881582
1,3-dimethyl-2-(4-phenylbutoxy)benzene
CID 114334885
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 47216835
ethyl N-[2-[3-(2,6-dimethylphenoxy)propylcarbamoylamino]ethyl]carbamate
CID 108881896
1-[2-(3-chlorophenyl)ethyl]-3-[2-(2,6-dimethylphenoxy)ethyl]urea
CID 112973326
3-(2,6-dimethylphenoxy)propylurea
CID 119091227
1-ethyl-3-(3-phenylpropyl)urea
CID 11769661
1-[2-(2,6-dimethylphenoxy)ethyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 112973291
1-benzyl-3-[3-(2,6-dimethylphenoxy)propyl]-1-phenylurea
CID 108881750
N-(3-phenylpropyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 112978152

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dimethylphenoxy)propyl]-3-(3-phenylpropyl)urea?
The IUPAC name of 1-[3-(2,6-dimethylphenoxy)propyl]-3-(3-phenylpropyl)urea (CID 108881887) is 1-[3-(2,6-dimethylphenoxy)propyl]-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-[3-(2,6-dimethylphenoxy)propyl]-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-[3-(2,6-dimethylphenoxy)propyl]-3-(3-phenylpropyl)urea is Cc1cccc(C)c1OCCCNC(=O)NCCCc1ccccc1.
What is the InChIKey of 1-[3-(2,6-dimethylphenoxy)propyl]-3-(3-phenylpropyl)urea?
The InChIKey is ORRDWOCUKQLCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-17-9-6-10-18(2)20(17)25-16-8-15-23-21(24)22-14-7-13-19-11-4-3-5-12-19/h3-6,9-12H,7-8,13-16H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-[3-(2,6-dimethylphenoxy)propyl]-3-(3-phenylpropyl)urea?
1-[3-(2,6-dimethylphenoxy)propyl]-3-(3-phenylpropyl)urea has a molecular weight of 340.47 g/mol, XLogP of 4.00, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-dimethylphenoxy)propyl]-3-(3-phenylpropyl)urea is sourced from PubChem (CID 108881887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).