1-(3-methyl-3-phenylbutan-2-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea

C25H33N3O3 — CID 86886974

IUPAC1-(3-methyl-3-phenylbutan-2-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea
SMILESCC(NC(=O)NCC(C(=O)N1CCOCC1)c1ccccc1)C(C)(C)c1ccccc1
InChIInChI=1S/C25H33N3O3/c1-19(25(2,3)21-12-8-5-9-13-21)27-24(30)26-18-22(20-10-6-4-7-11-20)23(29)28-14-16-31-17-15-28/h4-13,19,22H,14-18H2,1-3H3,(H2,26,27,30)
InChIKeyMYWLWDRAEYGTSB-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.29
Rot. Bonds7

About 1-(3-methyl-3-phenylbutan-2-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea

1-(3-methyl-3-phenylbutan-2-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea (PubChem CID 86886974) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 1-(3-methyl-3-phenylbutan-2-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea.

Molecular Properties

Compound Name1-(3-methyl-3-phenylbutan-2-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea
PubChem CID86886974
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name1-(3-methyl-3-phenylbutan-2-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea
SMILESCC(NC(=O)NCC(C(=O)N1CCOCC1)c1ccccc1)C(C)(C)c1ccccc1
InChIInChI=1S/C25H33N3O3/c1-19(25(2,3)21-12-8-5-9-13-21)27-24(30)26-18-22(20-10-6-4-7-11-20)23(29)28-14-16-31-17-15-28/h4-13,19,22H,14-18H2,1-3H3,(H2,26,27,30)
InChIKeyMYWLWDRAEYGTSB-UHFFFAOYSA-N
XLogP3.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-methyl-3-phenylbutan-2-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea with MolForge

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Related Compounds

Dextromoramide
CID 92943
1-((3R)-3-Methyl-4-(4-morpholinyl)-1-oxo-2,2-diphenylbutyl)pyrrolidine
CID 10453145
Racemoramide
CID 9648
Barbexaclone
CID 71196
N-[(2S)-1-[[(1S)-1-cyano-3-phenylpropyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 10002592
(2R)-N-[(2R)-6-amino-1-morpholin-4-yl-1-oxohexan-2-yl]-4-methyl-2-[[(2R)-3-phenyl-2-[[2-[[(1S,2R)-2-phenylcyclopropyl]amino]acetyl]amino]propanoyl]amino]pentanamide
CID 138520730
5-Ethyl-6-hydroxy-3-((morpholin-4-yl)methyl)-5-phenylpyrimidine-2,4(3H,5H)-dione
CID 39598
(1S,2S)-1-(dimethylcarbamoyl)-1-[4-(4-fluorophenyl)phenyl]-3-(morpholin-4-yl)-3-oxopropan-2-aminium; 2,2,2-trifluoroacetate
CID 91895780
PhPr-Gly-D-Phe-D-Leu-D-Lys-morpholide
CID 162660473
PhEt-Gly-D-Phe-D-Leu-D-Lys-morpholide
CID 162663182
N-[3-(morpholin-4-yl)propyl]-2,2-diphenylacetamide
CID 2166461
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-diphenylacetamide
CID 9950970

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-3-phenylbutan-2-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea?
The IUPAC name of 1-(3-methyl-3-phenylbutan-2-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea (CID 86886974) is 1-(3-methyl-3-phenylbutan-2-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea.
What is the SMILES notation for 1-(3-methyl-3-phenylbutan-2-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea?
The canonical SMILES for 1-(3-methyl-3-phenylbutan-2-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea is CC(NC(=O)NCC(C(=O)N1CCOCC1)c1ccccc1)C(C)(C)c1ccccc1.
What is the InChIKey of 1-(3-methyl-3-phenylbutan-2-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea?
The InChIKey is MYWLWDRAEYGTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-19(25(2,3)21-12-8-5-9-13-21)27-24(30)26-18-22(20-10-6-4-7-11-20)23(29)28-14-16-31-17-15-28/h4-13,19,22H,14-18H2,1-3H3,(H2,26,27,30).
What are the key properties of 1-(3-methyl-3-phenylbutan-2-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea?
1-(3-methyl-3-phenylbutan-2-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea has a molecular weight of 423.56 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-3-phenylbutan-2-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea is sourced from PubChem (CID 86886974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).