1-(4-methoxyphenyl)-3-[[4-(4-methylphenyl)oxan-4-yl]methyl]urea

C21H26N2O3 — CID 75538687

IUPAC1-(4-methoxyphenyl)-3-[[4-(4-methylphenyl)oxan-4-yl]methyl]urea
SMILESCOc1ccc(NC(=O)NCC2(c3ccc(C)cc3)CCOCC2)cc1
InChIInChI=1S/C21H26N2O3/c1-16-3-5-17(6-4-16)21(11-13-26-14-12-21)15-22-20(24)23-18-7-9-19(25-2)10-8-18/h3-10H,11-15H2,1-2H3,(H2,22,23,24)
InChIKeyLXBCAVWRZROHOA-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.87
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-[[4-(4-methylphenyl)oxan-4-yl]methyl]urea

1-(4-methoxyphenyl)-3-[[4-(4-methylphenyl)oxan-4-yl]methyl]urea (PubChem CID 75538687) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[[4-(4-methylphenyl)oxan-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[[4-(4-methylphenyl)oxan-4-yl]methyl]urea
PubChem CID75538687
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name1-(4-methoxyphenyl)-3-[[4-(4-methylphenyl)oxan-4-yl]methyl]urea
SMILESCOc1ccc(NC(=O)NCC2(c3ccc(C)cc3)CCOCC2)cc1
InChIInChI=1S/C21H26N2O3/c1-16-3-5-17(6-4-16)21(11-13-26-14-12-21)15-22-20(24)23-18-7-9-19(25-2)10-8-18/h3-10H,11-15H2,1-2H3,(H2,22,23,24)
InChIKeyLXBCAVWRZROHOA-UHFFFAOYSA-N
XLogP3.87
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(4-fluorophenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide
CID 23606974
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-(4-methoxyphenyl)oxamide
CID 27453070
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 27452245
1-(2-fluorophenyl)-3-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]urea
CID 47071711
1-(4-cyanophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214748
1-(4-bromophenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
CID 113214075
1-(3,4-dimethoxyphenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214699
1-[(3-hydroxyoxolan-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 103847569
1-(3,5-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214739
4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 40617546
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide
CID 113090752
1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(4-propan-2-ylphenyl)urea
CID 113214060

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[[4-(4-methylphenyl)oxan-4-yl]methyl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[[4-(4-methylphenyl)oxan-4-yl]methyl]urea (CID 75538687) is 1-(4-methoxyphenyl)-3-[[4-(4-methylphenyl)oxan-4-yl]methyl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[[4-(4-methylphenyl)oxan-4-yl]methyl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[[4-(4-methylphenyl)oxan-4-yl]methyl]urea is COc1ccc(NC(=O)NCC2(c3ccc(C)cc3)CCOCC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[[4-(4-methylphenyl)oxan-4-yl]methyl]urea?
The InChIKey is LXBCAVWRZROHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16-3-5-17(6-4-16)21(11-13-26-14-12-21)15-22-20(24)23-18-7-9-19(25-2)10-8-18/h3-10H,11-15H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-(4-methoxyphenyl)-3-[[4-(4-methylphenyl)oxan-4-yl]methyl]urea?
1-(4-methoxyphenyl)-3-[[4-(4-methylphenyl)oxan-4-yl]methyl]urea has a molecular weight of 354.45 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[[4-(4-methylphenyl)oxan-4-yl]methyl]urea is sourced from PubChem (CID 75538687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).