1-[(2R)-1,1-diphenylpropan-2-yl]-3-[(3R)-pyrrolidin-3-yl]urea

C20H25N3O — CID 131949357

IUPAC1-[(2R)-1,1-diphenylpropan-2-yl]-3-[(3R)-pyrrolidin-3-yl]urea
SMILESC[C@@H](NC(=O)N[C@@H]1CCNC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25N3O/c1-15(22-20(24)23-18-12-13-21-14-18)19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,15,18-19,21H,12-14H2,1H3,(H2,22,23,24)/t15-,18-/m1/s1
InChIKeyOHHCKGYRIURYLD-CRAIPNDOSA-N
MW323.44 g/mol
LogP2.87
Rot. Bonds5

About 1-[(2R)-1,1-diphenylpropan-2-yl]-3-[(3R)-pyrrolidin-3-yl]urea

1-[(2R)-1,1-diphenylpropan-2-yl]-3-[(3R)-pyrrolidin-3-yl]urea (PubChem CID 131949357) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[(2R)-1,1-diphenylpropan-2-yl]-3-[(3R)-pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-[(2R)-1,1-diphenylpropan-2-yl]-3-[(3R)-pyrrolidin-3-yl]urea
PubChem CID131949357
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-[(2R)-1,1-diphenylpropan-2-yl]-3-[(3R)-pyrrolidin-3-yl]urea
SMILESC[C@@H](NC(=O)N[C@@H]1CCNC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25N3O/c1-15(22-20(24)23-18-12-13-21-14-18)19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,15,18-19,21H,12-14H2,1H3,(H2,22,23,24)/t15-,18-/m1/s1
InChIKeyOHHCKGYRIURYLD-CRAIPNDOSA-N
XLogP2.87
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(2R)-1,1-diphenylpropan-2-yl]-3-[(3R)-pyrrolidin-3-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1,1-diphenylpropan-2-yl]-3-[(3R)-pyrrolidin-3-yl]urea?
The IUPAC name of 1-[(2R)-1,1-diphenylpropan-2-yl]-3-[(3R)-pyrrolidin-3-yl]urea (CID 131949357) is 1-[(2R)-1,1-diphenylpropan-2-yl]-3-[(3R)-pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[(2R)-1,1-diphenylpropan-2-yl]-3-[(3R)-pyrrolidin-3-yl]urea?
The canonical SMILES for 1-[(2R)-1,1-diphenylpropan-2-yl]-3-[(3R)-pyrrolidin-3-yl]urea is C[C@@H](NC(=O)N[C@@H]1CCNC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(2R)-1,1-diphenylpropan-2-yl]-3-[(3R)-pyrrolidin-3-yl]urea?
The InChIKey is OHHCKGYRIURYLD-CRAIPNDOSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15(22-20(24)23-18-12-13-21-14-18)19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,15,18-19,21H,12-14H2,1H3,(H2,22,23,24)/t15-,18-/m1/s1.
What are the key properties of 1-[(2R)-1,1-diphenylpropan-2-yl]-3-[(3R)-pyrrolidin-3-yl]urea?
1-[(2R)-1,1-diphenylpropan-2-yl]-3-[(3R)-pyrrolidin-3-yl]urea has a molecular weight of 323.44 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1,1-diphenylpropan-2-yl]-3-[(3R)-pyrrolidin-3-yl]urea is sourced from PubChem (CID 131949357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).