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

C22H25N3O4 — CID 156825191

IUPAC1-[4-[2-(1-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(CC(=O)N3CC4CC4(O)C3)cc2)cc1
InChIInChI=1S/C22H25N3O4/c1-29-19-8-4-16(5-9-19)12-23-21(27)24-18-6-2-15(3-7-18)10-20(26)25-13-17-11-22(17,28)14-25/h2-9,17,28H,10-14H2,1H3,(H2,23,24,27)
InChIKeyYXHCWFNQYDOPEC-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.15
Rot. Bonds6

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

1-[4-[2-(1-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 156825191) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 1-[4-[2-(1-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[4-[2-(1-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
PubChem CID156825191
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name1-[4-[2-(1-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(CC(=O)N3CC4CC4(O)C3)cc2)cc1
InChIInChI=1S/C22H25N3O4/c1-29-19-8-4-16(5-9-19)12-23-21(27)24-18-6-2-15(3-7-18)10-20(26)25-13-17-11-22(17,28)14-25/h2-9,17,28H,10-14H2,1H3,(H2,23,24,27)
InChIKeyYXHCWFNQYDOPEC-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

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-(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-(4-formylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 156825217
methyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate
CID 34667949
1-[4-(diethylaminomethyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 166706407
1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27870188
N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]oxetane-3-carboxamide
CID 166706454
1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 23795256
N-[4-[2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 122243074
1-[4-(benzenesulfonyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156824686

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(1-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[4-[2-(1-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea (CID 156825191) is 1-[4-[2-(1-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-(1-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[4-[2-(1-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea is COc1ccc(CNC(=O)Nc2ccc(CC(=O)N3CC4CC4(O)C3)cc2)cc1.
What is the InChIKey of 1-[4-[2-(1-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is YXHCWFNQYDOPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-29-19-8-4-16(5-9-19)12-23-21(27)24-18-6-2-15(3-7-18)10-20(26)25-13-17-11-22(17,28)14-25/h2-9,17,28H,10-14H2,1H3,(H2,23,24,27).
What are the key properties of 1-[4-[2-(1-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea?
1-[4-[2-(1-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 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(1-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 156825191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).