1,1-dimethyl-3-[2-(4-morpholin-4-ylphenyl)ethyl]urea

C15H23N3O2 — CID 110405022

IUPAC1,1-dimethyl-3-[2-(4-morpholin-4-ylphenyl)ethyl]urea
SMILESCN(C)C(=O)NCCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H23N3O2/c1-17(2)15(19)16-8-7-13-3-5-14(6-4-13)18-9-11-20-12-10-18/h3-6H,7-12H2,1-2H3,(H,16,19)
InChIKeyVRUSTQSNOJNLHY-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.34
Rot. Bonds4

About 1,1-dimethyl-3-[2-(4-morpholin-4-ylphenyl)ethyl]urea

1,1-dimethyl-3-[2-(4-morpholin-4-ylphenyl)ethyl]urea (PubChem CID 110405022) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1,1-dimethyl-3-[2-(4-morpholin-4-ylphenyl)ethyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[2-(4-morpholin-4-ylphenyl)ethyl]urea
PubChem CID110405022
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1,1-dimethyl-3-[2-(4-morpholin-4-ylphenyl)ethyl]urea
SMILESCN(C)C(=O)NCCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H23N3O2/c1-17(2)15(19)16-8-7-13-3-5-14(6-4-13)18-9-11-20-12-10-18/h3-6H,7-12H2,1-2H3,(H,16,19)
InChIKeyVRUSTQSNOJNLHY-UHFFFAOYSA-N
XLogP1.34
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110412816
N'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891636
N-methyl-2-(4-morpholin-4-ylphenyl)ethanamine
CID 82616430
2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]acetamide
CID 16889551
N'-cyclopentyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891637
1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-phenylethyl)thiourea
CID 8530762
N,N-dimethyl-3-[(4-morpholin-4-ylphenyl)methylamino]propanamide
CID 60926491
N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-phenoxypropanamide
CID 110405008
N'-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891641
1,1-dimethyl-3-[4-(4-morpholin-4-ylphenyl)phenyl]urea
CID 72939182
N'-[(2-chlorophenyl)methyl]-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891703
N'-(3,4-dimethoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891687

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[2-(4-morpholin-4-ylphenyl)ethyl]urea?
The IUPAC name of 1,1-dimethyl-3-[2-(4-morpholin-4-ylphenyl)ethyl]urea (CID 110405022) is 1,1-dimethyl-3-[2-(4-morpholin-4-ylphenyl)ethyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[2-(4-morpholin-4-ylphenyl)ethyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[2-(4-morpholin-4-ylphenyl)ethyl]urea is CN(C)C(=O)NCCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1,1-dimethyl-3-[2-(4-morpholin-4-ylphenyl)ethyl]urea?
The InChIKey is VRUSTQSNOJNLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-17(2)15(19)16-8-7-13-3-5-14(6-4-13)18-9-11-20-12-10-18/h3-6H,7-12H2,1-2H3,(H,16,19).
What are the key properties of 1,1-dimethyl-3-[2-(4-morpholin-4-ylphenyl)ethyl]urea?
1,1-dimethyl-3-[2-(4-morpholin-4-ylphenyl)ethyl]urea has a molecular weight of 277.37 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[2-(4-morpholin-4-ylphenyl)ethyl]urea is sourced from PubChem (CID 110405022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).