1-methoxy-1-methyl-3-[3-[3-(2-methylphenyl)propoxy]phenyl]urea

C19H24N2O3 — CID 12953602

IUPAC1-methoxy-1-methyl-3-[3-[3-(2-methylphenyl)propoxy]phenyl]urea
SMILESCON(C)C(=O)Nc1cccc(OCCCc2ccccc2C)c1
InChIInChI=1S/C19H24N2O3/c1-15-8-4-5-9-16(15)10-7-13-24-18-12-6-11-17(14-18)20-19(22)21(2)23-3/h4-6,8-9,11-12,14H,7,10,13H2,1-3H3,(H,20,22)
InChIKeyWXOIPXFZFUEJMZ-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.03
Rot. Bonds7

About 1-methoxy-1-methyl-3-[3-[3-(2-methylphenyl)propoxy]phenyl]urea

1-methoxy-1-methyl-3-[3-[3-(2-methylphenyl)propoxy]phenyl]urea (PubChem CID 12953602) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-methoxy-1-methyl-3-[3-[3-(2-methylphenyl)propoxy]phenyl]urea.

Molecular Properties

Compound Name1-methoxy-1-methyl-3-[3-[3-(2-methylphenyl)propoxy]phenyl]urea
PubChem CID12953602
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-methoxy-1-methyl-3-[3-[3-(2-methylphenyl)propoxy]phenyl]urea
SMILESCON(C)C(=O)Nc1cccc(OCCCc2ccccc2C)c1
InChIInChI=1S/C19H24N2O3/c1-15-8-4-5-9-16(15)10-7-13-24-18-12-6-11-17(14-18)20-19(22)21(2)23-3/h4-6,8-9,11-12,14H,7,10,13H2,1-3H3,(H,20,22)
InChIKeyWXOIPXFZFUEJMZ-UHFFFAOYSA-N
XLogP4.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.03
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

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CID 54473679
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3-[3-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]-1-methoxy-1-methylurea
CID 12801927
3-[3-[2-(1-adamantyl)ethoxy]phenyl]-1-methoxy-1-methylurea
CID 15583000
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CID 14499859
1-(3-methoxyphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 42029830
3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea
CID 79154063
3-[4-(2-methylphenyl)butoxy]phenol
CID 175374188
1-methoxy-1-methyl-3-[4-(6-phenylhexoxy)phenyl]urea
CID 13424076
N-[3-[2-[[N,N'-dimethyl-N-[(2-methylphenyl)methyl]carbamimidoyl]amino]ethoxy]phenyl]acetamide
CID 111286825
N-[3-[2-[(2-methylphenyl)methylamino]-2-oxoethoxy]phenyl]benzamide
CID 78883847

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-methyl-3-[3-[3-(2-methylphenyl)propoxy]phenyl]urea?
The IUPAC name of 1-methoxy-1-methyl-3-[3-[3-(2-methylphenyl)propoxy]phenyl]urea (CID 12953602) is 1-methoxy-1-methyl-3-[3-[3-(2-methylphenyl)propoxy]phenyl]urea.
What is the SMILES notation for 1-methoxy-1-methyl-3-[3-[3-(2-methylphenyl)propoxy]phenyl]urea?
The canonical SMILES for 1-methoxy-1-methyl-3-[3-[3-(2-methylphenyl)propoxy]phenyl]urea is CON(C)C(=O)Nc1cccc(OCCCc2ccccc2C)c1.
What is the InChIKey of 1-methoxy-1-methyl-3-[3-[3-(2-methylphenyl)propoxy]phenyl]urea?
The InChIKey is WXOIPXFZFUEJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-15-8-4-5-9-16(15)10-7-13-24-18-12-6-11-17(14-18)20-19(22)21(2)23-3/h4-6,8-9,11-12,14H,7,10,13H2,1-3H3,(H,20,22).
What are the key properties of 1-methoxy-1-methyl-3-[3-[3-(2-methylphenyl)propoxy]phenyl]urea?
1-methoxy-1-methyl-3-[3-[3-(2-methylphenyl)propoxy]phenyl]urea has a molecular weight of 328.41 g/mol, XLogP of 4.03, 7 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-[3-[3-(2-methylphenyl)propoxy]phenyl]urea is sourced from PubChem (CID 12953602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).