1-(3-morpholin-4-ylpropyl)-3-(3,4,5-triethoxyphenyl)urea

C20H33N3O5 — CID 108869740

IUPAC1-(3-morpholin-4-ylpropyl)-3-(3,4,5-triethoxyphenyl)urea
SMILESCCOc1cc(NC(=O)NCCCN2CCOCC2)cc(OCC)c1OCC
InChIInChI=1S/C20H33N3O5/c1-4-26-17-14-16(15-18(27-5-2)19(17)28-6-3)22-20(24)21-8-7-9-23-10-12-25-13-11-23/h14-15H,4-13H2,1-3H3,(H2,21,22,24)
InChIKeyNJHJXWNLYFLODC-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.73
Rot. Bonds11

About 1-(3-morpholin-4-ylpropyl)-3-(3,4,5-triethoxyphenyl)urea

1-(3-morpholin-4-ylpropyl)-3-(3,4,5-triethoxyphenyl)urea (PubChem CID 108869740) has the molecular formula C20H33N3O5 and a molecular weight of 395.50 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropyl)-3-(3,4,5-triethoxyphenyl)urea.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropyl)-3-(3,4,5-triethoxyphenyl)urea
PubChem CID108869740
Molecular FormulaC20H33N3O5
Molecular Weight395.50 g/mol
Exact Mass395.24
IUPAC Name1-(3-morpholin-4-ylpropyl)-3-(3,4,5-triethoxyphenyl)urea
SMILESCCOc1cc(NC(=O)NCCCN2CCOCC2)cc(OCC)c1OCC
InChIInChI=1S/C20H33N3O5/c1-4-26-17-14-16(15-18(27-5-2)19(17)28-6-3)22-20(24)21-8-7-9-23-10-12-25-13-11-23/h14-15H,4-13H2,1-3H3,(H2,21,22,24)
InChIKeyNJHJXWNLYFLODC-UHFFFAOYSA-N
XLogP2.73
TPSA81.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 17013971
3-chloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 100744644
1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 16645776
1-(3,5-difluoro-4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 60543377
[3,5-dimethoxy-4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]carbamic acid
CID 121255435
1-(4-bromophenyl)-3-(4-morpholin-4-ylbutyl)urea
CID 46831361
3,4,5-triethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224516
3,4,5-triethoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 16611987
1-(3H-benzimidazol-5-yl)-3-(3-morpholin-4-ylpropyl)urea
CID 108885871
3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 78780979
2-(4-cyano-2-ethoxyphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 30532507
1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea
CID 60605719

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylpropyl)-3-(3,4,5-triethoxyphenyl)urea?
The IUPAC name of 1-(3-morpholin-4-ylpropyl)-3-(3,4,5-triethoxyphenyl)urea (CID 108869740) is 1-(3-morpholin-4-ylpropyl)-3-(3,4,5-triethoxyphenyl)urea.
What is the SMILES notation for 1-(3-morpholin-4-ylpropyl)-3-(3,4,5-triethoxyphenyl)urea?
The canonical SMILES for 1-(3-morpholin-4-ylpropyl)-3-(3,4,5-triethoxyphenyl)urea is CCOc1cc(NC(=O)NCCCN2CCOCC2)cc(OCC)c1OCC.
What is the InChIKey of 1-(3-morpholin-4-ylpropyl)-3-(3,4,5-triethoxyphenyl)urea?
The InChIKey is NJHJXWNLYFLODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O5/c1-4-26-17-14-16(15-18(27-5-2)19(17)28-6-3)22-20(24)21-8-7-9-23-10-12-25-13-11-23/h14-15H,4-13H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-(3-morpholin-4-ylpropyl)-3-(3,4,5-triethoxyphenyl)urea?
1-(3-morpholin-4-ylpropyl)-3-(3,4,5-triethoxyphenyl)urea has a molecular weight of 395.50 g/mol, XLogP of 2.73, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropyl)-3-(3,4,5-triethoxyphenyl)urea is sourced from PubChem (CID 108869740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).