1-methyl-3-[3-(2-methylphenoxy)propyl]-1-phenylurea

C18H22N2O2 — CID 108883830

IUPAC1-methyl-3-[3-(2-methylphenoxy)propyl]-1-phenylurea
SMILESCc1ccccc1OCCCNC(=O)N(C)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-15-9-6-7-12-17(15)22-14-8-13-19-18(21)20(2)16-10-4-3-5-11-16/h3-7,9-12H,8,13-14H2,1-2H3,(H,19,21)
InChIKeyDYCFASVDWBYYTR-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.61
Rot. Bonds6

About 1-methyl-3-[3-(2-methylphenoxy)propyl]-1-phenylurea

1-methyl-3-[3-(2-methylphenoxy)propyl]-1-phenylurea (PubChem CID 108883830) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-methyl-3-[3-(2-methylphenoxy)propyl]-1-phenylurea.

Molecular Properties

Compound Name1-methyl-3-[3-(2-methylphenoxy)propyl]-1-phenylurea
PubChem CID108883830
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-methyl-3-[3-(2-methylphenoxy)propyl]-1-phenylurea
SMILESCc1ccccc1OCCCNC(=O)N(C)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-15-9-6-7-12-17(15)22-14-8-13-19-18(21)20(2)16-10-4-3-5-11-16/h3-7,9-12H,8,13-14H2,1-2H3,(H,19,21)
InChIKeyDYCFASVDWBYYTR-UHFFFAOYSA-N
XLogP3.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.61
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-1-phenyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974328
1,1-bis(2-hydroxyethyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883758
1-tert-butyl-1-ethyl-3-[3-(2-methylphenoxy)propyl]urea
CID 108883940
3-[3-(2,6-dimethylphenoxy)propyl]-1-(4-hydroxyphenyl)-1-methylurea
CID 108881752
N-methyl-2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-phenylacetamide
CID 52679743
1-ethyl-3-[3-(2-methylphenoxy)propyl]urea
CID 108883834
3-[3-(2,3-dimethylphenoxy)propylcarbamoyl-methylamino]propanoic acid
CID 122012189
3-[2-[[2-(2,3-dimethylphenoxy)ethanethioyl]amino]ethyl]-1-methyl-1-phenylurea
CID 54217764
3-[2-(2-methylphenoxy)ethyl]-1,1-dipropylurea
CID 112969805
4-[3-(2-methylphenoxy)propanoylamino]butanoic acid
CID 43239219
N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide
CID 127115832
N-[3-[3-(2-methylphenoxy)propylcarbamoylamino]propyl]formamide
CID 108883904

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(2-methylphenoxy)propyl]-1-phenylurea?
The IUPAC name of 1-methyl-3-[3-(2-methylphenoxy)propyl]-1-phenylurea (CID 108883830) is 1-methyl-3-[3-(2-methylphenoxy)propyl]-1-phenylurea.
What is the SMILES notation for 1-methyl-3-[3-(2-methylphenoxy)propyl]-1-phenylurea?
The canonical SMILES for 1-methyl-3-[3-(2-methylphenoxy)propyl]-1-phenylurea is Cc1ccccc1OCCCNC(=O)N(C)c1ccccc1.
What is the InChIKey of 1-methyl-3-[3-(2-methylphenoxy)propyl]-1-phenylurea?
The InChIKey is DYCFASVDWBYYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-15-9-6-7-12-17(15)22-14-8-13-19-18(21)20(2)16-10-4-3-5-11-16/h3-7,9-12H,8,13-14H2,1-2H3,(H,19,21).
What are the key properties of 1-methyl-3-[3-(2-methylphenoxy)propyl]-1-phenylurea?
1-methyl-3-[3-(2-methylphenoxy)propyl]-1-phenylurea has a molecular weight of 298.39 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(2-methylphenoxy)propyl]-1-phenylurea is sourced from PubChem (CID 108883830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).