3-(3-benzylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea

C22H28N2O2 — CID 125154893

IUPAC3-(3-benzylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
SMILESCN(CCC[C@@H]1CCCO1)C(=O)Nc1cccc(Cc2ccccc2)c1
InChIInChI=1S/C22H28N2O2/c1-24(14-6-12-21-13-7-15-26-21)22(25)23-20-11-5-10-19(17-20)16-18-8-3-2-4-9-18/h2-5,8-11,17,21H,6-7,12-16H2,1H3,(H,23,25)/t21-/m1/s1
InChIKeyCRJBXQBJYRZZLV-OAQYLSRUSA-N
MW352.48 g/mol
LogP4.70
Rot. Bonds7

About 3-(3-benzylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea

3-(3-benzylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea (PubChem CID 125154893) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-(3-benzylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea.

Molecular Properties

Compound Name3-(3-benzylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
PubChem CID125154893
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name3-(3-benzylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
SMILESCN(CCC[C@@H]1CCCO1)C(=O)Nc1cccc(Cc2ccccc2)c1
InChIInChI=1S/C22H28N2O2/c1-24(14-6-12-21-13-7-15-26-21)22(25)23-20-11-5-10-19(17-20)16-18-8-3-2-4-9-18/h2-5,8-11,17,21H,6-7,12-16H2,1H3,(H,23,25)/t21-/m1/s1
InChIKeyCRJBXQBJYRZZLV-OAQYLSRUSA-N
XLogP4.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3-benzylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea with MolForge

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

Launch Full Analysis

Related Compounds

3-(3-chloro-4-methylphenyl)-1-methyl-1-[3-(oxolan-2-yl)propyl]urea
CID 118767228
3-(1,3-benzodioxol-5-yl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 125167071
2-chloro-N-methyl-5-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]carbamoyl]amino]benzamide
CID 125170840
3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea
CID 118761000
3-[3-(2-ethyltetrazol-5-yl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea
CID 72922904
1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]-3-(2-phenyl-1,3-benzoxazol-5-yl)urea
CID 97436331
3-(3-acetylphenyl)-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61174521
3-[2-(4-methoxyphenyl)phenyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 125160875
3-[2-(4-methoxyphenyl)phenyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea
CID 125160872
3-(2-chloro-5-sulfamoylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 125161769
1-(3-ethylphenyl)-3-[2-(oxolan-2-yl)ethyl]thiourea
CID 60729328
1-methyl-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 126423852

Frequently Asked Questions

What is the IUPAC name of 3-(3-benzylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea?
The IUPAC name of 3-(3-benzylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea (CID 125154893) is 3-(3-benzylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea.
What is the SMILES notation for 3-(3-benzylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea?
The canonical SMILES for 3-(3-benzylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea is CN(CCC[C@@H]1CCCO1)C(=O)Nc1cccc(Cc2ccccc2)c1.
What is the InChIKey of 3-(3-benzylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea?
The InChIKey is CRJBXQBJYRZZLV-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-24(14-6-12-21-13-7-15-26-21)22(25)23-20-11-5-10-19(17-20)16-18-8-3-2-4-9-18/h2-5,8-11,17,21H,6-7,12-16H2,1H3,(H,23,25)/t21-/m1/s1.
What are the key properties of 3-(3-benzylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea?
3-(3-benzylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea has a molecular weight of 352.48 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea is sourced from PubChem (CID 125154893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).