3-[3-(dimethylamino)phenyl]-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea

C30H38N4O2 — CID 16737501

IUPAC3-[3-(dimethylamino)phenyl]-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
SMILESCN(C)c1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)c1
InChIInChI=1S/C30H38N4O2/c1-32(2)28-15-9-14-27(24-28)31-30(35)34(19-18-33-20-22-36-23-21-33)17-16-29(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-15,24,29H,16-23H2,1-2H3,(H,31,35)
InChIKeyGTPZZWVVIWMTIK-UHFFFAOYSA-N
MW486.66 g/mol
LogP5.14
Rot. Bonds10

About 3-[3-(dimethylamino)phenyl]-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea

3-[3-(dimethylamino)phenyl]-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea (PubChem CID 16737501) has the molecular formula C30H38N4O2 and a molecular weight of 486.66 g/mol. Its IUPAC name is 3-[3-(dimethylamino)phenyl]-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name3-[3-(dimethylamino)phenyl]-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
PubChem CID16737501
Molecular FormulaC30H38N4O2
Molecular Weight486.66 g/mol
Exact Mass486.30
IUPAC Name3-[3-(dimethylamino)phenyl]-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
SMILESCN(C)c1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)c1
InChIInChI=1S/C30H38N4O2/c1-32(2)28-15-9-14-27(24-28)31-30(35)34(19-18-33-20-22-36-23-21-33)17-16-29(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-15,24,29H,16-23H2,1-2H3,(H,31,35)
InChIKeyGTPZZWVVIWMTIK-UHFFFAOYSA-N
XLogP5.14
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.66
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)phenyl]-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 3-[3-(dimethylamino)phenyl]-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea (CID 16737501) is 3-[3-(dimethylamino)phenyl]-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 3-[3-(dimethylamino)phenyl]-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 3-[3-(dimethylamino)phenyl]-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea is CN(C)c1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)c1.
What is the InChIKey of 3-[3-(dimethylamino)phenyl]-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea?
The InChIKey is GTPZZWVVIWMTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O2/c1-32(2)28-15-9-14-27(24-28)31-30(35)34(19-18-33-20-22-36-23-21-33)17-16-29(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-15,24,29H,16-23H2,1-2H3,(H,31,35).
What are the key properties of 3-[3-(dimethylamino)phenyl]-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea?
3-[3-(dimethylamino)phenyl]-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea has a molecular weight of 486.66 g/mol, XLogP of 5.14, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)phenyl]-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 16737501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).