1-(3-morpholin-4-ylpropyl)-3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]urea

C28H33N3O3 — CID 42701155

IUPAC1-(3-morpholin-4-ylpropyl)-3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]urea
SMILESO=C(Nc1ccccc1)N(CCCN1CCOCC1)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C28H33N3O3/c32-28(29-26-10-5-2-6-11-26)31(17-7-16-30-18-20-33-21-19-30)22-24-12-14-27(15-13-24)34-23-25-8-3-1-4-9-25/h1-6,8-15H,7,16-23H2,(H,29,32)
InChIKeyLSGAGBSUDVXYBS-UHFFFAOYSA-N
MW459.59 g/mol
LogP5.02
Rot. Bonds10

About 1-(3-morpholin-4-ylpropyl)-3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]urea

1-(3-morpholin-4-ylpropyl)-3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]urea (PubChem CID 42701155) has the molecular formula C28H33N3O3 and a molecular weight of 459.59 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropyl)-3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropyl)-3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]urea
PubChem CID42701155
Molecular FormulaC28H33N3O3
Molecular Weight459.59 g/mol
Exact Mass459.25
IUPAC Name1-(3-morpholin-4-ylpropyl)-3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]urea
SMILESO=C(Nc1ccccc1)N(CCCN1CCOCC1)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C28H33N3O3/c32-28(29-26-10-5-2-6-11-26)31(17-7-16-30-18-20-33-21-19-30)22-24-12-14-27(15-13-24)34-23-25-8-3-1-4-9-25/h1-6,8-15H,7,16-23H2,(H,29,32)
InChIKeyLSGAGBSUDVXYBS-UHFFFAOYSA-N
XLogP5.02
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-morpholin-4-ylethyl)-1-[(4-phenylmethoxyphenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 42698254
3-(3-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenylmethoxyphenyl)methyl]urea
CID 42705031
1-benzyl-3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)urea
CID 3249090
ethyl 4-[[3-morpholin-4-ylpropyl-[(3-phenylmethoxyphenyl)methyl]carbamoyl]amino]benzoate
CID 42705029
2-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(4-phenylmethoxyphenyl)methyl]hexanamide
CID 42701112
3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42701222
ethyl 4-[[(3-methoxy-4-phenylmethoxyphenyl)methyl-(3-morpholin-4-ylpropyl)carbamoyl]amino]benzoate
CID 42708428
2-chloro-N-(2-morpholin-4-ylethyl)-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 42698238
3-(2,6-dimethylphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 42708434
3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 5011395
4-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 42705023
3-(4-bromophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea
CID 42699799

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylpropyl)-3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]urea?
The IUPAC name of 1-(3-morpholin-4-ylpropyl)-3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]urea (CID 42701155) is 1-(3-morpholin-4-ylpropyl)-3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(3-morpholin-4-ylpropyl)-3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]urea?
The canonical SMILES for 1-(3-morpholin-4-ylpropyl)-3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]urea is O=C(Nc1ccccc1)N(CCCN1CCOCC1)Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-(3-morpholin-4-ylpropyl)-3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]urea?
The InChIKey is LSGAGBSUDVXYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3/c32-28(29-26-10-5-2-6-11-26)31(17-7-16-30-18-20-33-21-19-30)22-24-12-14-27(15-13-24)34-23-25-8-3-1-4-9-25/h1-6,8-15H,7,16-23H2,(H,29,32).
What are the key properties of 1-(3-morpholin-4-ylpropyl)-3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]urea?
1-(3-morpholin-4-ylpropyl)-3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]urea has a molecular weight of 459.59 g/mol, XLogP of 5.02, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropyl)-3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]urea is sourced from PubChem (CID 42701155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).