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

C29H35N3O3 — CID 16737126

IUPAC1-(3,3-diphenylpropyl)-3-[3-(hydroxymethyl)phenyl]-1-(2-morpholin-4-ylethyl)urea
SMILESO=C(Nc1cccc(CO)c1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
InChIInChI=1S/C29H35N3O3/c33-23-24-8-7-13-27(22-24)30-29(34)32(17-16-31-18-20-35-21-19-31)15-14-28(25-9-3-1-4-10-25)26-11-5-2-6-12-26/h1-13,22,28,33H,14-21,23H2,(H,30,34)
InChIKeyAPEYDQTXOQBNAB-UHFFFAOYSA-N
MW473.62 g/mol
LogP4.57
Rot. Bonds10

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

1-(3,3-diphenylpropyl)-3-[3-(hydroxymethyl)phenyl]-1-(2-morpholin-4-ylethyl)urea (PubChem CID 16737126) has the molecular formula C29H35N3O3 and a molecular weight of 473.62 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-3-[3-(hydroxymethyl)phenyl]-1-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-3-[3-(hydroxymethyl)phenyl]-1-(2-morpholin-4-ylethyl)urea
PubChem CID16737126
Molecular FormulaC29H35N3O3
Molecular Weight473.62 g/mol
Exact Mass473.27
IUPAC Name1-(3,3-diphenylpropyl)-3-[3-(hydroxymethyl)phenyl]-1-(2-morpholin-4-ylethyl)urea
SMILESO=C(Nc1cccc(CO)c1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
InChIInChI=1S/C29H35N3O3/c33-23-24-8-7-13-27(22-24)30-29(34)32(17-16-31-18-20-35-21-19-31)15-14-28(25-9-3-1-4-10-25)26-11-5-2-6-12-26/h1-13,22,28,33H,14-21,23H2,(H,30,34)
InChIKeyAPEYDQTXOQBNAB-UHFFFAOYSA-N
XLogP4.57
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-3-[3-(hydroxymethyl)phenyl]-1-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-(3,3-diphenylpropyl)-3-[3-(hydroxymethyl)phenyl]-1-(2-morpholin-4-ylethyl)urea (CID 16737126) is 1-(3,3-diphenylpropyl)-3-[3-(hydroxymethyl)phenyl]-1-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-3-[3-(hydroxymethyl)phenyl]-1-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-(3,3-diphenylpropyl)-3-[3-(hydroxymethyl)phenyl]-1-(2-morpholin-4-ylethyl)urea is O=C(Nc1cccc(CO)c1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-3-[3-(hydroxymethyl)phenyl]-1-(2-morpholin-4-ylethyl)urea?
The InChIKey is APEYDQTXOQBNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O3/c33-23-24-8-7-13-27(22-24)30-29(34)32(17-16-31-18-20-35-21-19-31)15-14-28(25-9-3-1-4-10-25)26-11-5-2-6-12-26/h1-13,22,28,33H,14-21,23H2,(H,30,34).
What are the key properties of 1-(3,3-diphenylpropyl)-3-[3-(hydroxymethyl)phenyl]-1-(2-morpholin-4-ylethyl)urea?
1-(3,3-diphenylpropyl)-3-[3-(hydroxymethyl)phenyl]-1-(2-morpholin-4-ylethyl)urea has a molecular weight of 473.62 g/mol, XLogP of 4.57, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-3-[3-(hydroxymethyl)phenyl]-1-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 16737126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).