1-[(4-methoxyphenyl)methyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]urea

C20H25N3O2 — CID 170288394

IUPAC1-[(4-methoxyphenyl)methyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(CN3CC(C)C3)cc2)cc1
InChIInChI=1S/C20H25N3O2/c1-15-12-23(13-15)14-17-3-7-18(8-4-17)22-20(24)21-11-16-5-9-19(25-2)10-6-16/h3-10,15H,11-14H2,1-2H3,(H2,21,22,24)
InChIKeyGPAOLTGQWUESTN-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.47
Rot. Bonds6

About 1-[(4-methoxyphenyl)methyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]urea

1-[(4-methoxyphenyl)methyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]urea (PubChem CID 170288394) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]urea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]urea
PubChem CID170288394
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(CN3CC(C)C3)cc2)cc1
InChIInChI=1S/C20H25N3O2/c1-15-12-23(13-15)14-17-3-7-18(8-4-17)22-20(24)21-11-16-5-9-19(25-2)10-6-16/h3-10,15H,11-14H2,1-2H3,(H2,21,22,24)
InChIKeyGPAOLTGQWUESTN-UHFFFAOYSA-N
XLogP3.47
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methoxyphenyl)methyl]-3-[4-[[(4R)-4-methyl-2-oxopiperidin-1-yl]methyl]phenyl]urea
CID 156824565
methyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate
CID 34667949
1-[4-[2-(6-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156825234
1-[(4-methoxyphenyl)methyl]-3-[4-(2-oxa-5,8-diazaspiro[3.5]nonan-8-ylmethyl)phenyl]urea
CID 156824911
N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]oxetane-3-carboxamide
CID 166706454
1-(4-formylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 156825217
1-[4-[2-(1-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156825191
1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 23795256
1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-methoxyphenyl)urea
CID 22430447
1-(4-aminophenyl)-3-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]urea
CID 135223350
1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27870188
1-[4-[(1S)-1-aminoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156824997

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]urea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]urea (CID 170288394) is 1-[(4-methoxyphenyl)methyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]urea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]urea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]urea is COc1ccc(CNC(=O)Nc2ccc(CN3CC(C)C3)cc2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]urea?
The InChIKey is GPAOLTGQWUESTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-12-23(13-15)14-17-3-7-18(8-4-17)22-20(24)21-11-16-5-9-19(25-2)10-6-16/h3-10,15H,11-14H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]urea?
1-[(4-methoxyphenyl)methyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]urea has a molecular weight of 339.44 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]urea is sourced from PubChem (CID 170288394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).