1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea

C20H32N4O3 — CID 60605719

IUPAC1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea
SMILESCC1CN(c2ccc(NC(=O)NCCCN3CCOCC3)cc2)CC(C)O1
InChIInChI=1S/C20H32N4O3/c1-16-14-24(15-17(2)27-16)19-6-4-18(5-7-19)22-20(25)21-8-3-9-23-10-12-26-13-11-23/h4-7,16-17H,3,8-15H2,1-2H3,(H2,21,22,25)
InChIKeyZVYYOEXNXKFFIZ-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.14
Rot. Bonds6

About 1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea

1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea (PubChem CID 60605719) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea
PubChem CID60605719
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea
SMILESCC1CN(c2ccc(NC(=O)NCCCN3CCOCC3)cc2)CC(C)O1
InChIInChI=1S/C20H32N4O3/c1-16-14-24(15-17(2)27-16)19-6-4-18(5-7-19)22-20(25)21-8-3-9-23-10-12-26-13-11-23/h4-7,16-17H,3,8-15H2,1-2H3,(H2,21,22,25)
InChIKeyZVYYOEXNXKFFIZ-UHFFFAOYSA-N
XLogP2.14
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(3-methoxypropyl)urea
CID 94336259
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-phenylurea
CID 51333998
1-(4-bromophenyl)-3-(4-morpholin-4-ylbutyl)urea
CID 46831361
1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(2-ethoxyethyl)urea
CID 94336084
1-(cyclopropylmethyl)-3-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea
CID 94336075
1-(4-morpholin-4-ylphenyl)-3-propylurea
CID 2788991
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2125723
1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-propan-2-ylurea
CID 49283001
1-(4-chlorophenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]urea
CID 27733890
1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 49282481

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea?
The IUPAC name of 1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea (CID 60605719) is 1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea?
The canonical SMILES for 1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea is CC1CN(c2ccc(NC(=O)NCCCN3CCOCC3)cc2)CC(C)O1.
What is the InChIKey of 1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea?
The InChIKey is ZVYYOEXNXKFFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-16-14-24(15-17(2)27-16)19-6-4-18(5-7-19)22-20(25)21-8-3-9-23-10-12-26-13-11-23/h4-7,16-17H,3,8-15H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea?
1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea has a molecular weight of 376.50 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 60605719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).