1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea

C17H20N2O3 — CID 91538470

IUPAC1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea
SMILESCOc1ccccc1OCCCNC(=O)Nc1ccccc1
InChIInChI=1S/C17H20N2O3/c1-21-15-10-5-6-11-16(15)22-13-7-12-18-17(20)19-14-8-3-2-4-9-14/h2-6,8-11H,7,12-13H2,1H3,(H2,18,19,20)
InChIKeyDSLRGKCBAYAGOF-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.29
Rot. Bonds7

About 1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea

1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea (PubChem CID 91538470) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea
PubChem CID91538470
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea
SMILESCOc1ccccc1OCCCNC(=O)Nc1ccccc1
InChIInChI=1S/C17H20N2O3/c1-21-15-10-5-6-11-16(15)22-13-7-12-18-17(20)19-14-8-3-2-4-9-14/h2-6,8-11H,7,12-13H2,1H3,(H2,18,19,20)
InChIKeyDSLRGKCBAYAGOF-UHFFFAOYSA-N
XLogP3.29
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.29
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-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)urea
CID 17171255
ethyl 4-[2-(2-methoxyphenoxy)ethylcarbamoylamino]benzoate
CID 112971489
1-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylurea
CID 48559749
1-[2-(2-fluorophenoxy)ethyl]-3-phenylurea
CID 43010864
1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea
CID 2972238
N-[2-methoxy-4-[2-(2-methoxyphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 55744137
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methylphenyl)urea
CID 112971428
1-(4-bromo-3-methylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971484
1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971392
1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883704
4-(3-methoxypropylcarbamoylamino)-N-phenylbenzamide
CID 52793055
1-(4-phenoxybutyl)-3-phenylurea
CID 19353776

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea?
The IUPAC name of 1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea (CID 91538470) is 1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea.
What is the SMILES notation for 1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea?
The canonical SMILES for 1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea is COc1ccccc1OCCCNC(=O)Nc1ccccc1.
What is the InChIKey of 1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea?
The InChIKey is DSLRGKCBAYAGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-21-15-10-5-6-11-16(15)22-13-7-12-18-17(20)19-14-8-3-2-4-9-14/h2-6,8-11H,7,12-13H2,1H3,(H2,18,19,20).
What are the key properties of 1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea?
1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea has a molecular weight of 300.36 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea is sourced from PubChem (CID 91538470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).