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

C16H25N3O2 — CID 51333998

IUPAC1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylurea
SMILESCC1CN(CCCNC(=O)Nc2ccccc2)CC(C)O1
InChIInChI=1S/C16H25N3O2/c1-13-11-19(12-14(2)21-13)10-6-9-17-16(20)18-15-7-4-3-5-8-15/h3-5,7-8,13-14H,6,9-12H2,1-2H3,(H2,17,18,20)
InChIKeyCMTJOWCCIQOLJH-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.31
Rot. Bonds5

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

1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylurea (PubChem CID 51333998) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylurea
PubChem CID51333998
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylurea
SMILESCC1CN(CCCNC(=O)Nc2ccccc2)CC(C)O1
InChIInChI=1S/C16H25N3O2/c1-13-11-19(12-14(2)21-13)10-6-9-17-16(20)18-15-7-4-3-5-8-15/h3-5,7-8,13-14H,6,9-12H2,1-2H3,(H2,17,18,20)
InChIKeyCMTJOWCCIQOLJH-UHFFFAOYSA-N
XLogP2.31
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.31
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-methylphenyl)urea
CID 51334002
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(4-fluorophenyl)urea
CID 51334001
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-(3-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea
CID 42886916
1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea
CID 60605719
2-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119840992
1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-ethylphenyl)urea
CID 51944777
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]-3-phenylprop-2-ynamide
CID 97039116
4-benzamido-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
CID 43048352
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-(propan-2-yloxymethyl)phenyl]methyl]urea
CID 55747813

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylurea?
The IUPAC name of 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylurea (CID 51333998) is 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylurea.
What is the SMILES notation for 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylurea?
The canonical SMILES for 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylurea is CC1CN(CCCNC(=O)Nc2ccccc2)CC(C)O1.
What is the InChIKey of 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylurea?
The InChIKey is CMTJOWCCIQOLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13-11-19(12-14(2)21-13)10-6-9-17-16(20)18-15-7-4-3-5-8-15/h3-5,7-8,13-14H,6,9-12H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylurea?
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylurea has a molecular weight of 291.39 g/mol, XLogP of 2.31, 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-phenylurea is sourced from PubChem (CID 51333998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).