1-(2,2-diphenylethenyl)-3-phenyl-3-(phenylcarbamoyl)-1-propan-2-ylurea

C31H29N3O2 — CID 139094277

IUPAC1-(2,2-diphenylethenyl)-3-phenyl-3-(phenylcarbamoyl)-1-propan-2-ylurea
SMILESCC(C)N(C=C(c1ccccc1)c1ccccc1)C(=O)N(C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C31H29N3O2/c1-24(2)33(23-29(25-15-7-3-8-16-25)26-17-9-4-10-18-26)31(36)34(28-21-13-6-14-22-28)30(35)32-27-19-11-5-12-20-27/h3-24H,1-2H3,(H,32,35)
InChIKeyQAZZOBFGHCHOTR-UHFFFAOYSA-N
MW475.59 g/mol
LogP7.64
Rot. Bonds6

About 1-(2,2-diphenylethenyl)-3-phenyl-3-(phenylcarbamoyl)-1-propan-2-ylurea

1-(2,2-diphenylethenyl)-3-phenyl-3-(phenylcarbamoyl)-1-propan-2-ylurea (PubChem CID 139094277) has the molecular formula C31H29N3O2 and a molecular weight of 475.59 g/mol. Its IUPAC name is 1-(2,2-diphenylethenyl)-3-phenyl-3-(phenylcarbamoyl)-1-propan-2-ylurea.

Molecular Properties

Compound Name1-(2,2-diphenylethenyl)-3-phenyl-3-(phenylcarbamoyl)-1-propan-2-ylurea
PubChem CID139094277
Molecular FormulaC31H29N3O2
Molecular Weight475.59 g/mol
Exact Mass475.23
IUPAC Name1-(2,2-diphenylethenyl)-3-phenyl-3-(phenylcarbamoyl)-1-propan-2-ylurea
SMILESCC(C)N(C=C(c1ccccc1)c1ccccc1)C(=O)N(C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C31H29N3O2/c1-24(2)33(23-29(25-15-7-3-8-16-25)26-17-9-4-10-18-26)31(36)34(28-21-13-6-14-22-28)30(35)32-27-19-11-5-12-20-27/h3-24H,1-2H3,(H,32,35)
InChIKeyQAZZOBFGHCHOTR-UHFFFAOYSA-N
XLogP7.64
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.59
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenone(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diphenylethenyl)-3-phenyl-3-(phenylcarbamoyl)-1-propan-2-ylurea?
The IUPAC name of 1-(2,2-diphenylethenyl)-3-phenyl-3-(phenylcarbamoyl)-1-propan-2-ylurea (CID 139094277) is 1-(2,2-diphenylethenyl)-3-phenyl-3-(phenylcarbamoyl)-1-propan-2-ylurea.
What is the SMILES notation for 1-(2,2-diphenylethenyl)-3-phenyl-3-(phenylcarbamoyl)-1-propan-2-ylurea?
The canonical SMILES for 1-(2,2-diphenylethenyl)-3-phenyl-3-(phenylcarbamoyl)-1-propan-2-ylurea is CC(C)N(C=C(c1ccccc1)c1ccccc1)C(=O)N(C(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2,2-diphenylethenyl)-3-phenyl-3-(phenylcarbamoyl)-1-propan-2-ylurea?
The InChIKey is QAZZOBFGHCHOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N3O2/c1-24(2)33(23-29(25-15-7-3-8-16-25)26-17-9-4-10-18-26)31(36)34(28-21-13-6-14-22-28)30(35)32-27-19-11-5-12-20-27/h3-24H,1-2H3,(H,32,35).
What are the key properties of 1-(2,2-diphenylethenyl)-3-phenyl-3-(phenylcarbamoyl)-1-propan-2-ylurea?
1-(2,2-diphenylethenyl)-3-phenyl-3-(phenylcarbamoyl)-1-propan-2-ylurea has a molecular weight of 475.59 g/mol, XLogP of 7.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diphenylethenyl)-3-phenyl-3-(phenylcarbamoyl)-1-propan-2-ylurea is sourced from PubChem (CID 139094277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).