1-methoxy-1-methyl-3-[4-(6-phenylhexoxy)phenyl]urea

C21H28N2O3 — CID 13424076

IUPAC1-methoxy-1-methyl-3-[4-(6-phenylhexoxy)phenyl]urea
SMILESCON(C)C(=O)Nc1ccc(OCCCCCCc2ccccc2)cc1
InChIInChI=1S/C21H28N2O3/c1-23(25-2)21(24)22-19-13-15-20(16-14-19)26-17-9-4-3-6-10-18-11-7-5-8-12-18/h5,7-8,11-16H,3-4,6,9-10,17H2,1-2H3,(H,22,24)
InChIKeySTYXOKUCZZBTEL-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.89
Rot. Bonds10

About 1-methoxy-1-methyl-3-[4-(6-phenylhexoxy)phenyl]urea

1-methoxy-1-methyl-3-[4-(6-phenylhexoxy)phenyl]urea (PubChem CID 13424076) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-methoxy-1-methyl-3-[4-(6-phenylhexoxy)phenyl]urea.

Molecular Properties

Compound Name1-methoxy-1-methyl-3-[4-(6-phenylhexoxy)phenyl]urea
PubChem CID13424076
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name1-methoxy-1-methyl-3-[4-(6-phenylhexoxy)phenyl]urea
SMILESCON(C)C(=O)Nc1ccc(OCCCCCCc2ccccc2)cc1
InChIInChI=1S/C21H28N2O3/c1-23(25-2)21(24)22-19-13-15-20(16-14-19)26-17-9-4-3-6-10-18-11-7-5-8-12-18/h5,7-8,11-16H,3-4,6,9-10,17H2,1-2H3,(H,22,24)
InChIKeySTYXOKUCZZBTEL-UHFFFAOYSA-N
XLogP4.89
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-phenylbutoxy)phenyl]acetamide
CID 143188438
3-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-1-methoxy-1-methylurea
CID 12953558
1-methoxy-1-methyl-3-[4-[(3-methylphenyl)methoxy]phenyl]urea
CID 12893509
2-[benzyl(methyl)amino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 54809010
N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130114
2-[benzyl-[2-[4-(4-phenylbutoxy)phenyl]ethyl]amino]-N-methoxy-N-methylacetamide
CID 86605038
1-methoxy-1-methyl-3-[4-(3-phenylbutyl)phenyl]urea
CID 57012984
N-(4-hexoxyphenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825486
N,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide
CID 17067257
4-butoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130195
2-methoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130159
3-[3-chloro-4-(7-phenylheptoxy)phenyl]-1,1-dimethylurea
CID 20566600

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-methyl-3-[4-(6-phenylhexoxy)phenyl]urea?
The IUPAC name of 1-methoxy-1-methyl-3-[4-(6-phenylhexoxy)phenyl]urea (CID 13424076) is 1-methoxy-1-methyl-3-[4-(6-phenylhexoxy)phenyl]urea.
What is the SMILES notation for 1-methoxy-1-methyl-3-[4-(6-phenylhexoxy)phenyl]urea?
The canonical SMILES for 1-methoxy-1-methyl-3-[4-(6-phenylhexoxy)phenyl]urea is CON(C)C(=O)Nc1ccc(OCCCCCCc2ccccc2)cc1.
What is the InChIKey of 1-methoxy-1-methyl-3-[4-(6-phenylhexoxy)phenyl]urea?
The InChIKey is STYXOKUCZZBTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-23(25-2)21(24)22-19-13-15-20(16-14-19)26-17-9-4-3-6-10-18-11-7-5-8-12-18/h5,7-8,11-16H,3-4,6,9-10,17H2,1-2H3,(H,22,24).
What are the key properties of 1-methoxy-1-methyl-3-[4-(6-phenylhexoxy)phenyl]urea?
1-methoxy-1-methyl-3-[4-(6-phenylhexoxy)phenyl]urea has a molecular weight of 356.47 g/mol, XLogP of 4.89, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-methyl-3-[4-(6-phenylhexoxy)phenyl]urea is sourced from PubChem (CID 13424076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).