1-hydroxy-1-methyl-3-[6-(4-phenylphenoxy)hexyl]urea

C20H26N2O3 — CID 15675494

IUPAC1-hydroxy-1-methyl-3-[6-(4-phenylphenoxy)hexyl]urea
SMILESCN(O)C(=O)NCCCCCCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H26N2O3/c1-22(24)20(23)21-15-7-2-3-8-16-25-19-13-11-18(12-14-19)17-9-5-4-6-10-17/h4-6,9-14,24H,2-3,7-8,15-16H2,1H3,(H,21,23)
InChIKeyORVBZLQTCRDCMA-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.32
Rot. Bonds9

About 1-hydroxy-1-methyl-3-[6-(4-phenylphenoxy)hexyl]urea

1-hydroxy-1-methyl-3-[6-(4-phenylphenoxy)hexyl]urea (PubChem CID 15675494) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-hydroxy-1-methyl-3-[6-(4-phenylphenoxy)hexyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-methyl-3-[6-(4-phenylphenoxy)hexyl]urea
PubChem CID15675494
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-hydroxy-1-methyl-3-[6-(4-phenylphenoxy)hexyl]urea
SMILESCN(O)C(=O)NCCCCCCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H26N2O3/c1-22(24)20(23)21-15-7-2-3-8-16-25-19-13-11-18(12-14-19)17-9-5-4-6-10-17/h4-6,9-14,24H,2-3,7-8,15-16H2,1H3,(H,21,23)
InChIKeyORVBZLQTCRDCMA-UHFFFAOYSA-N
XLogP4.32
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-[4-(4-fluorophenoxy)butyl]-1-methylurea
CID 33403769
N,N-dimethyl-8-(4-phenylphenoxy)octan-1-amine
CID 21281384
9-(4-phenylphenoxy)nonanoic acid
CID 66874790
[(2R)-3-carboxy-2-[7-(4-phenylphenoxy)heptylcarbamoylamino]propyl]-trimethylazanium
CID 44629010
[(2R)-3-carboxy-2-[7-(4-phenylphenoxy)heptylcarbamoylamino]propyl]-trimethylazanium;ethane
CID 143927416
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
1,3-bis[4-(4-methylphenoxy)butyl]urea
CID 47093546
1-pentoxy-4-phenylbenzene
CID 7021155
2-methylidene-9-(4-phenylphenoxy)nonanoic acid
CID 118914936
2-(4-phenylphenoxy)-N-[8-[2-(4-phenylphenoxy)butanoylamino]octyl]butanamide
CID 17233430
(2R)-2,4-dihydroxy-3,3-dimethyl-N-(4-phenoxybutyl)butanamide
CID 125469748
1,1-bis(2-methylpropyl)-3-(3-phenoxypropyl)urea
CID 108883218

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-methyl-3-[6-(4-phenylphenoxy)hexyl]urea?
The IUPAC name of 1-hydroxy-1-methyl-3-[6-(4-phenylphenoxy)hexyl]urea (CID 15675494) is 1-hydroxy-1-methyl-3-[6-(4-phenylphenoxy)hexyl]urea.
What is the SMILES notation for 1-hydroxy-1-methyl-3-[6-(4-phenylphenoxy)hexyl]urea?
The canonical SMILES for 1-hydroxy-1-methyl-3-[6-(4-phenylphenoxy)hexyl]urea is CN(O)C(=O)NCCCCCCOc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-hydroxy-1-methyl-3-[6-(4-phenylphenoxy)hexyl]urea?
The InChIKey is ORVBZLQTCRDCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-22(24)20(23)21-15-7-2-3-8-16-25-19-13-11-18(12-14-19)17-9-5-4-6-10-17/h4-6,9-14,24H,2-3,7-8,15-16H2,1H3,(H,21,23).
What are the key properties of 1-hydroxy-1-methyl-3-[6-(4-phenylphenoxy)hexyl]urea?
1-hydroxy-1-methyl-3-[6-(4-phenylphenoxy)hexyl]urea has a molecular weight of 342.44 g/mol, XLogP of 4.32, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-methyl-3-[6-(4-phenylphenoxy)hexyl]urea is sourced from PubChem (CID 15675494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).