1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)urea

C29H35N3O3 — CID 16737981

IUPAC1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)urea
SMILESCOc1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)c1
InChIInChI=1S/C29H35N3O3/c1-34-27-14-8-13-26(23-27)30-29(33)32(18-17-31-19-21-35-22-20-31)16-15-28(24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-14,23,28H,15-22H2,1H3,(H,30,33)
InChIKeyNCSISOMVANFIBY-UHFFFAOYSA-N
MW473.62 g/mol
LogP5.08
Rot. Bonds10

About 1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)urea

1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)urea (PubChem CID 16737981) has the molecular formula C29H35N3O3 and a molecular weight of 473.62 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)urea
PubChem CID16737981
Molecular FormulaC29H35N3O3
Molecular Weight473.62 g/mol
Exact Mass473.27
IUPAC Name1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)urea
SMILESCOc1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)c1
InChIInChI=1S/C29H35N3O3/c1-34-27-14-8-13-26(23-27)30-29(33)32(18-17-31-19-21-35-22-20-31)16-15-28(24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-14,23,28H,15-22H2,1H3,(H,30,33)
InChIKeyNCSISOMVANFIBY-UHFFFAOYSA-N
XLogP5.08
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 55.08
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-methoxyphenyl)-1-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)urea (CID 16737981) is 1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)urea is COc1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)c1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)urea?
The InChIKey is NCSISOMVANFIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O3/c1-34-27-14-8-13-26(23-27)30-29(33)32(18-17-31-19-21-35-22-20-31)16-15-28(24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-14,23,28H,15-22H2,1H3,(H,30,33).
What are the key properties of 1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)urea?
1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)urea has a molecular weight of 473.62 g/mol, XLogP of 5.08, 10 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-methoxyphenyl)-1-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 16737981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).