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

C17H20N2O3 — CID 12893509

IUPAC1-methoxy-1-methyl-3-[4-[(3-methylphenyl)methoxy]phenyl]urea
SMILESCON(C)C(=O)Nc1ccc(OCc2cccc(C)c2)cc1
InChIInChI=1S/C17H20N2O3/c1-13-5-4-6-14(11-13)12-22-16-9-7-15(8-10-16)18-17(20)19(2)21-3/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyKUFMBCVTGPWGOF-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.60
Rot. Bonds5

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

1-methoxy-1-methyl-3-[4-[(3-methylphenyl)methoxy]phenyl]urea (PubChem CID 12893509) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-methoxy-1-methyl-3-[4-[(3-methylphenyl)methoxy]phenyl]urea.

Molecular Properties

Compound Name1-methoxy-1-methyl-3-[4-[(3-methylphenyl)methoxy]phenyl]urea
PubChem CID12893509
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-methoxy-1-methyl-3-[4-[(3-methylphenyl)methoxy]phenyl]urea
SMILESCON(C)C(=O)Nc1ccc(OCc2cccc(C)c2)cc1
InChIInChI=1S/C17H20N2O3/c1-13-5-4-6-14(11-13)12-22-16-9-7-15(8-10-16)18-17(20)19(2)21-3/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyKUFMBCVTGPWGOF-UHFFFAOYSA-N
XLogP3.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(3-methylphenyl)methoxy]phenyl]acetamide
CID 8522252
3-[4-[(4-bromophenyl)methoxy]phenyl]-1-methoxy-1-methylurea
CID 12893499
2-(3-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 113098761
1-methoxy-1-methyl-3-[4-(6-phenylhexoxy)phenyl]urea
CID 13424076
N,N-dimethyl-4-[[2-[(E)-1-[4-[(3-methylphenyl)methoxy]phenyl]ethylideneamino]oxyacetyl]amino]benzamide
CID 95303208
N-(4-methoxyphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 5077102
2-chloro-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-one
CID 82051803
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-(3-methylphenoxy)acetate
CID 7853518
(E)-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 6065791
2-(N-acetyl-3-methylanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 113167614
N-(4-fluorophenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide
CID 5022696
1-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]urea
CID 131963954

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-methyl-3-[4-[(3-methylphenyl)methoxy]phenyl]urea?
The IUPAC name of 1-methoxy-1-methyl-3-[4-[(3-methylphenyl)methoxy]phenyl]urea (CID 12893509) is 1-methoxy-1-methyl-3-[4-[(3-methylphenyl)methoxy]phenyl]urea.
What is the SMILES notation for 1-methoxy-1-methyl-3-[4-[(3-methylphenyl)methoxy]phenyl]urea?
The canonical SMILES for 1-methoxy-1-methyl-3-[4-[(3-methylphenyl)methoxy]phenyl]urea is CON(C)C(=O)Nc1ccc(OCc2cccc(C)c2)cc1.
What is the InChIKey of 1-methoxy-1-methyl-3-[4-[(3-methylphenyl)methoxy]phenyl]urea?
The InChIKey is KUFMBCVTGPWGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-13-5-4-6-14(11-13)12-22-16-9-7-15(8-10-16)18-17(20)19(2)21-3/h4-11H,12H2,1-3H3,(H,18,20).
What are the key properties of 1-methoxy-1-methyl-3-[4-[(3-methylphenyl)methoxy]phenyl]urea?
1-methoxy-1-methyl-3-[4-[(3-methylphenyl)methoxy]phenyl]urea has a molecular weight of 300.36 g/mol, XLogP of 3.60, 5 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-[(3-methylphenyl)methoxy]phenyl]urea is sourced from PubChem (CID 12893509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).