1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(4-methylphenyl)urea

C17H27N3O2 — CID 51334002

IUPAC1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCCCN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C17H27N3O2/c1-13-5-7-16(8-6-13)19-17(21)18-9-4-10-20-11-14(2)22-15(3)12-20/h5-8,14-15H,4,9-12H2,1-3H3,(H2,18,19,21)
InChIKeyNKCAXELWMUEHFI-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.62
Rot. Bonds5

About 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(4-methylphenyl)urea

1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(4-methylphenyl)urea (PubChem CID 51334002) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(4-methylphenyl)urea
PubChem CID51334002
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCCCN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C17H27N3O2/c1-13-5-7-16(8-6-13)19-17(21)18-9-4-10-20-11-14(2)22-15(3)12-20/h5-8,14-15H,4,9-12H2,1-3H3,(H2,18,19,21)
InChIKeyNKCAXELWMUEHFI-UHFFFAOYSA-N
XLogP2.62
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(4-fluorophenyl)urea
CID 51334001
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylurea
CID 51333998
1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea
CID 60605719
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825463
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-pyridin-2-ylurea
CID 51084139
1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea
CID 47041605
1-(4-methylphenyl)-3-(3-sulfamoylpropyl)urea
CID 61131417
1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(3-methoxypropyl)urea
CID 94336259
1-(3-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea
CID 42886916
1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 95975570
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[2-(3,4-dimethylphenyl)sulfanylethyl]urea
CID 47024854
1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 94162627

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(4-methylphenyl)urea (CID 51334002) is 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NCCCN2CC(C)OC(C)C2)cc1.
What is the InChIKey of 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(4-methylphenyl)urea?
The InChIKey is NKCAXELWMUEHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13-5-7-16(8-6-13)19-17(21)18-9-4-10-20-11-14(2)22-15(3)12-20/h5-8,14-15H,4,9-12H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(4-methylphenyl)urea?
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(4-methylphenyl)urea has a molecular weight of 305.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 51334002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).