1-(3,4-dimethoxyphenyl)-3-[4-[(4-methylphenyl)methoxy]-3-propanoylphenyl]urea

C26H28N2O5 — CID 23019202

IUPAC1-(3,4-dimethoxyphenyl)-3-[4-[(4-methylphenyl)methoxy]-3-propanoylphenyl]urea
SMILESCCC(=O)c1cc(NC(=O)Nc2ccc(OC)c(OC)c2)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C26H28N2O5/c1-5-22(29)21-14-19(10-12-23(21)33-16-18-8-6-17(2)7-9-18)27-26(30)28-20-11-13-24(31-3)25(15-20)32-4/h6-15H,5,16H2,1-4H3,(H2,27,28,30)
InChIKeyRBPZSODPLOIZDP-UHFFFAOYSA-N
MW448.52 g/mol
LogP5.83
Rot. Bonds9

About 1-(3,4-dimethoxyphenyl)-3-[4-[(4-methylphenyl)methoxy]-3-propanoylphenyl]urea

1-(3,4-dimethoxyphenyl)-3-[4-[(4-methylphenyl)methoxy]-3-propanoylphenyl]urea (PubChem CID 23019202) has the molecular formula C26H28N2O5 and a molecular weight of 448.52 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-[4-[(4-methylphenyl)methoxy]-3-propanoylphenyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-[4-[(4-methylphenyl)methoxy]-3-propanoylphenyl]urea
PubChem CID23019202
Molecular FormulaC26H28N2O5
Molecular Weight448.52 g/mol
Exact Mass448.20
IUPAC Name1-(3,4-dimethoxyphenyl)-3-[4-[(4-methylphenyl)methoxy]-3-propanoylphenyl]urea
SMILESCCC(=O)c1cc(NC(=O)Nc2ccc(OC)c(OC)c2)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C26H28N2O5/c1-5-22(29)21-14-19(10-12-23(21)33-16-18-8-6-17(2)7-9-18)27-26(30)28-20-11-13-24(31-3)25(15-20)32-4/h6-15H,5,16H2,1-4H3,(H2,27,28,30)
InChIKeyRBPZSODPLOIZDP-UHFFFAOYSA-N
XLogP5.83
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-dimethoxyphenyl)-3-[4-[(4-methylphenyl)methoxy]-3-propanoylphenyl]urea with MolForge

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Related Compounds

1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]propan-1-one
CID 83950881
N-[3-acetyl-4-[(4-methylphenyl)methoxy]phenyl]butanamide
CID 31472185
(4-methoxy-3-phenylmethoxyphenyl)carbamic acid
CID 155170089
1-(3,4-dimethoxyphenyl)-3-[(4-methylphenoxy)methyl]urea
CID 108892792
2-methoxy-1-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanone
CID 82051856
N-[4-(2-methoxyethoxy)-3-propanoylphenyl]acetamide
CID 165355459
methyl 5-[[3-(hydroxymethyl)-4-methoxyphenyl]carbamoylamino]-2-[(4-propan-2-ylphenyl)methoxy]benzoate
CID 91147202
1-(5-hydroxy-2-methoxyphenyl)propan-1-one
CID 15574178
1-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884279
N-(4-acetamidophenyl)-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enamide
CID 3454977
2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 9458010
1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
CID 108907165

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[4-[(4-methylphenyl)methoxy]-3-propanoylphenyl]urea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[4-[(4-methylphenyl)methoxy]-3-propanoylphenyl]urea (CID 23019202) is 1-(3,4-dimethoxyphenyl)-3-[4-[(4-methylphenyl)methoxy]-3-propanoylphenyl]urea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-[4-[(4-methylphenyl)methoxy]-3-propanoylphenyl]urea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-[4-[(4-methylphenyl)methoxy]-3-propanoylphenyl]urea is CCC(=O)c1cc(NC(=O)Nc2ccc(OC)c(OC)c2)ccc1OCc1ccc(C)cc1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-[4-[(4-methylphenyl)methoxy]-3-propanoylphenyl]urea?
The InChIKey is RBPZSODPLOIZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5/c1-5-22(29)21-14-19(10-12-23(21)33-16-18-8-6-17(2)7-9-18)27-26(30)28-20-11-13-24(31-3)25(15-20)32-4/h6-15H,5,16H2,1-4H3,(H2,27,28,30).
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-[4-[(4-methylphenyl)methoxy]-3-propanoylphenyl]urea?
1-(3,4-dimethoxyphenyl)-3-[4-[(4-methylphenyl)methoxy]-3-propanoylphenyl]urea has a molecular weight of 448.52 g/mol, XLogP of 5.83, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-[4-[(4-methylphenyl)methoxy]-3-propanoylphenyl]urea is sourced from PubChem (CID 23019202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).