1-[4-[2-(6-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea

C22H25N3O4 — CID 156825234

IUPAC1-[4-[2-(6-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(CC(=O)N3CC4C(O)C4C3)cc2)cc1
InChIInChI=1S/C22H25N3O4/c1-29-17-8-4-15(5-9-17)11-23-22(28)24-16-6-2-14(3-7-16)10-20(26)25-12-18-19(13-25)21(18)27/h2-9,18-19,21,27H,10-13H2,1H3,(H2,23,24,28)
InChIKeyUYVASCVKYXHLEY-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.01
Rot. Bonds6

About 1-[4-[2-(6-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea

1-[4-[2-(6-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 156825234) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 1-[4-[2-(6-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[4-[2-(6-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
PubChem CID156825234
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name1-[4-[2-(6-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(CC(=O)N3CC4C(O)C4C3)cc2)cc1
InChIInChI=1S/C22H25N3O4/c1-29-17-8-4-15(5-9-17)11-23-22(28)24-16-6-2-14(3-7-16)10-20(26)25-12-18-19(13-25)21(18)27/h2-9,18-19,21,27H,10-13H2,1H3,(H2,23,24,28)
InChIKeyUYVASCVKYXHLEY-UHFFFAOYSA-N
XLogP2.01
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2-(6-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]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

1-[4-[2-(1-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156825191
1-[(4-methoxyphenyl)methyl]-3-[4-[2-(3-methyl-3-propylazetidin-1-yl)-2-oxoethyl]phenyl]urea;propane
CID 156825215
1-[(4-methoxyphenyl)methyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]urea
CID 170288394
1-[2-[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]acetyl]-1,6-diazaspiro[3.3]heptane-6-carboxylic acid
CID 170171025
1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 63106560
1-(4-formylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 156825217
N-[4-[2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 122243074
methyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate
CID 34667949
1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27870188
N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]oxetane-3-carboxamide
CID 166706454
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-methoxyphenyl)ethanone
CID 66213547
1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 23795256

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(6-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[4-[2-(6-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea (CID 156825234) is 1-[4-[2-(6-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[4-[2-(6-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[4-[2-(6-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea is COc1ccc(CNC(=O)Nc2ccc(CC(=O)N3CC4C(O)C4C3)cc2)cc1.
What is the InChIKey of 1-[4-[2-(6-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is UYVASCVKYXHLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-29-17-8-4-15(5-9-17)11-23-22(28)24-16-6-2-14(3-7-16)10-20(26)25-12-18-19(13-25)21(18)27/h2-9,18-19,21,27H,10-13H2,1H3,(H2,23,24,28).
What are the key properties of 1-[4-[2-(6-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea?
1-[4-[2-(6-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea has a molecular weight of 395.46 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(6-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 156825234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).