1-(2-ethoxy-5-trimethylsilylphenyl)-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea

C28H37N3O4Si — CID 11409584

IUPAC1-(2-ethoxy-5-trimethylsilylphenyl)-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
SMILESCCOc1ccc([Si](C)(C)C)cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C28H37N3O4Si/c1-5-34-27-12-10-21(36(2,3)4)20-25(27)30-28(32)29-24-11-13-26(23-9-7-6-8-22(23)24)35-19-16-31-14-17-33-18-15-31/h6-13,20H,5,14-19H2,1-4H3,(H2,29,30,32)
InChIKeyMMLLPXCDOUZMBK-UHFFFAOYSA-N
MW507.71 g/mol
LogP5.14
Rot. Bonds9

About 1-(2-ethoxy-5-trimethylsilylphenyl)-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea

1-(2-ethoxy-5-trimethylsilylphenyl)-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea (PubChem CID 11409584) has the molecular formula C28H37N3O4Si and a molecular weight of 507.71 g/mol. Its IUPAC name is 1-(2-ethoxy-5-trimethylsilylphenyl)-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea.

Molecular Properties

Compound Name1-(2-ethoxy-5-trimethylsilylphenyl)-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
PubChem CID11409584
Molecular FormulaC28H37N3O4Si
Molecular Weight507.71 g/mol
Exact Mass507.26
IUPAC Name1-(2-ethoxy-5-trimethylsilylphenyl)-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
SMILESCCOc1ccc([Si](C)(C)C)cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C28H37N3O4Si/c1-5-34-27-12-10-21(36(2,3)4)20-25(27)30-28(32)29-24-11-13-26(23-9-7-6-8-22(23)24)35-19-16-31-14-17-33-18-15-31/h6-13,20H,5,14-19H2,1-4H3,(H2,29,30,32)
InChIKeyMMLLPXCDOUZMBK-UHFFFAOYSA-N
XLogP5.14
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.71
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 18628987
1-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 11180295
3-(2-ethoxy-5-methylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 70834420
methyl 5-tert-butyl-1-methyl-3-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrrole-2-carboxylate
CID 18406693
5-tert-butyl-N-methyl-3-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]-1H-pyrrole-2-carboxamide
CID 18406650
4-methyl-3-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553258
3-(4-ethoxyphenyl)-N-[4-[2-(1,4-oxazepan-4-yl)ethoxy]naphthalen-1-yl]benzamide
CID 143171320
1-[3-bromo-5-tert-butyl-2-[ethyl(morpholin-4-yl)amino]phenyl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 91075191
4-cyano-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553360
4-(dimethylamino)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553215
1-(2,5-diethoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
CID 22218068
CID 142977964
CID 142977964

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-5-trimethylsilylphenyl)-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea?
The IUPAC name of 1-(2-ethoxy-5-trimethylsilylphenyl)-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea (CID 11409584) is 1-(2-ethoxy-5-trimethylsilylphenyl)-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea.
What is the SMILES notation for 1-(2-ethoxy-5-trimethylsilylphenyl)-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea?
The canonical SMILES for 1-(2-ethoxy-5-trimethylsilylphenyl)-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea is CCOc1ccc([Si](C)(C)C)cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12.
What is the InChIKey of 1-(2-ethoxy-5-trimethylsilylphenyl)-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea?
The InChIKey is MMLLPXCDOUZMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O4Si/c1-5-34-27-12-10-21(36(2,3)4)20-25(27)30-28(32)29-24-11-13-26(23-9-7-6-8-22(23)24)35-19-16-31-14-17-33-18-15-31/h6-13,20H,5,14-19H2,1-4H3,(H2,29,30,32).
What are the key properties of 1-(2-ethoxy-5-trimethylsilylphenyl)-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea?
1-(2-ethoxy-5-trimethylsilylphenyl)-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea has a molecular weight of 507.71 g/mol, XLogP of 5.14, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-5-trimethylsilylphenyl)-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea is sourced from PubChem (CID 11409584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).