1-(4-ethoxyphenyl)-3-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]urea

C22H29N3O3 — CID 93480907

IUPAC1-(4-ethoxyphenyl)-3-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]urea
SMILESCCOc1ccc(NC(=O)NCCCN2CCO[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C22H29N3O3/c1-2-27-20-11-9-19(10-12-20)24-22(26)23-13-6-14-25-15-16-28-21(17-25)18-7-4-3-5-8-18/h3-5,7-12,21H,2,6,13-17H2,1H3,(H2,23,24,26)/t21-/m1/s1
InChIKeyUBHUWXXFFSUINO-OAQYLSRUSA-N
MW383.49 g/mol
LogP3.67
Rot. Bonds8

About 1-(4-ethoxyphenyl)-3-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]urea

1-(4-ethoxyphenyl)-3-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]urea (PubChem CID 93480907) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]urea
PubChem CID93480907
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name1-(4-ethoxyphenyl)-3-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]urea
SMILESCCOc1ccc(NC(=O)NCCCN2CCO[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C22H29N3O3/c1-2-27-20-11-9-19(10-12-20)24-22(26)23-13-6-14-25-15-16-28-21(17-25)18-7-4-3-5-8-18/h3-5,7-12,21H,2,6,13-17H2,1H3,(H2,23,24,26)/t21-/m1/s1
InChIKeyUBHUWXXFFSUINO-OAQYLSRUSA-N
XLogP3.67
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-ethoxyphenyl)-3-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide
CID 51866537
4-ethoxy-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892642
2-phenoxy-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]acetamide
CID 27557858
methyl 4-[[2-oxo-2-[3-(2-phenylmorpholin-4-yl)propylamino]acetyl]amino]benzoate
CID 16893069
4-methoxy-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 27441296
4-ethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 30851064
2-(3-methoxyphenoxy)-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]acetamide
CID 51866505
3,4-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892558
N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]-4-propylbenzamide
CID 51866471
2-ethoxy-5-methyl-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
CID 51866671
N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-propan-2-yloxamide
CID 27532480
N'-(2-chlorophenyl)-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]oxamide
CID 27557843

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]urea (CID 93480907) is 1-(4-ethoxyphenyl)-3-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]urea is CCOc1ccc(NC(=O)NCCCN2CCO[C@@H](c3ccccc3)C2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]urea?
The InChIKey is UBHUWXXFFSUINO-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-2-27-20-11-9-19(10-12-20)24-22(26)23-13-6-14-25-15-16-28-21(17-25)18-7-4-3-5-8-18/h3-5,7-12,21H,2,6,13-17H2,1H3,(H2,23,24,26)/t21-/m1/s1.
What are the key properties of 1-(4-ethoxyphenyl)-3-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]urea?
1-(4-ethoxyphenyl)-3-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]urea has a molecular weight of 383.49 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]urea is sourced from PubChem (CID 93480907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).