1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propylurea

C18H29N3O4 — CID 2299099

IUPAC1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propylurea
SMILESCCCNC(=O)Nc1cc(OCC)c(N2CCOCC2)cc1OCC
InChIInChI=1S/C18H29N3O4/c1-4-7-19-18(22)20-14-12-17(25-6-3)15(13-16(14)24-5-2)21-8-10-23-11-9-21/h12-13H,4-11H2,1-3H3,(H2,19,20,22)
InChIKeyIWDFEMNNLZERCC-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.85
Rot. Bonds8

About 1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propylurea

1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propylurea (PubChem CID 2299099) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propylurea.

Molecular Properties

Compound Name1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propylurea
PubChem CID2299099
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC Name1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propylurea
SMILESCCCNC(=O)Nc1cc(OCC)c(N2CCOCC2)cc1OCC
InChIInChI=1S/C18H29N3O4/c1-4-7-19-18(22)20-14-12-17(25-6-3)15(13-16(14)24-5-2)21-8-10-23-11-9-21/h12-13H,4-11H2,1-3H3,(H2,19,20,22)
InChIKeyIWDFEMNNLZERCC-UHFFFAOYSA-N
XLogP2.85
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

CID 25015710
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CID 66570
CID 16018053
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CID 71718790
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CID 831789
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CID 1241231
CID 1241231
CID 6467692
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CID 2454783
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CID 11754350
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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propylurea?
The IUPAC name of 1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propylurea (CID 2299099) is 1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propylurea.
What is the SMILES notation for 1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propylurea?
The canonical SMILES for 1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propylurea is CCCNC(=O)Nc1cc(OCC)c(N2CCOCC2)cc1OCC.
What is the InChIKey of 1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propylurea?
The InChIKey is IWDFEMNNLZERCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4/c1-4-7-19-18(22)20-14-12-17(25-6-3)15(13-16(14)24-5-2)21-8-10-23-11-9-21/h12-13H,4-11H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propylurea?
1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propylurea has a molecular weight of 351.45 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propylurea is sourced from PubChem (CID 2299099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).