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

C30H37N3O3 — CID 16737131

IUPAC1-(3,3-diphenylpropyl)-3-[3-(methoxymethyl)phenyl]-1-(2-morpholin-4-ylethyl)urea
SMILESCOCc1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)c1
InChIInChI=1S/C30H37N3O3/c1-35-24-25-9-8-14-28(23-25)31-30(34)33(18-17-32-19-21-36-22-20-32)16-15-29(26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-14,23,29H,15-22,24H2,1H3,(H,31,34)
InChIKeyNTRPWXGTTLFZCO-UHFFFAOYSA-N
MW487.64 g/mol
LogP5.22
Rot. Bonds11

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

1-(3,3-diphenylpropyl)-3-[3-(methoxymethyl)phenyl]-1-(2-morpholin-4-ylethyl)urea (PubChem CID 16737131) has the molecular formula C30H37N3O3 and a molecular weight of 487.64 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-3-[3-(methoxymethyl)phenyl]-1-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-3-[3-(methoxymethyl)phenyl]-1-(2-morpholin-4-ylethyl)urea
PubChem CID16737131
Molecular FormulaC30H37N3O3
Molecular Weight487.64 g/mol
Exact Mass487.28
IUPAC Name1-(3,3-diphenylpropyl)-3-[3-(methoxymethyl)phenyl]-1-(2-morpholin-4-ylethyl)urea
SMILESCOCc1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)c1
InChIInChI=1S/C30H37N3O3/c1-35-24-25-9-8-14-28(23-25)31-30(34)33(18-17-32-19-21-36-22-20-32)16-15-29(26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-14,23,29H,15-22,24H2,1H3,(H,31,34)
InChIKeyNTRPWXGTTLFZCO-UHFFFAOYSA-N
XLogP5.22
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.64
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-3-[3-(methoxymethyl)phenyl]-1-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-(3,3-diphenylpropyl)-3-[3-(methoxymethyl)phenyl]-1-(2-morpholin-4-ylethyl)urea (CID 16737131) is 1-(3,3-diphenylpropyl)-3-[3-(methoxymethyl)phenyl]-1-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-3-[3-(methoxymethyl)phenyl]-1-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-(3,3-diphenylpropyl)-3-[3-(methoxymethyl)phenyl]-1-(2-morpholin-4-ylethyl)urea is COCc1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)c1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-3-[3-(methoxymethyl)phenyl]-1-(2-morpholin-4-ylethyl)urea?
The InChIKey is NTRPWXGTTLFZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O3/c1-35-24-25-9-8-14-28(23-25)31-30(34)33(18-17-32-19-21-36-22-20-32)16-15-29(26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-14,23,29H,15-22,24H2,1H3,(H,31,34).
What are the key properties of 1-(3,3-diphenylpropyl)-3-[3-(methoxymethyl)phenyl]-1-(2-morpholin-4-ylethyl)urea?
1-(3,3-diphenylpropyl)-3-[3-(methoxymethyl)phenyl]-1-(2-morpholin-4-ylethyl)urea has a molecular weight of 487.64 g/mol, XLogP of 5.22, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-3-[3-(methoxymethyl)phenyl]-1-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 16737131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).