N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]oxetane-3-carboxamide

C20H23N3O4 — CID 166706454

IUPACN-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]oxetane-3-carboxamide
SMILESCOc1ccc(CNC(=O)Nc2ccc(CNC(=O)C3COC3)cc2)cc1
InChIInChI=1S/C20H23N3O4/c1-26-18-8-4-15(5-9-18)11-22-20(25)23-17-6-2-14(3-7-17)10-21-19(24)16-12-27-13-16/h2-9,16H,10-13H2,1H3,(H,21,24)(H2,22,23,25)
InChIKeyFJCROZNYPAWKQM-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.28
Rot. Bonds7

About N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]oxetane-3-carboxamide

N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]oxetane-3-carboxamide (PubChem CID 166706454) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]oxetane-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]oxetane-3-carboxamide
PubChem CID166706454
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]oxetane-3-carboxamide
SMILESCOc1ccc(CNC(=O)Nc2ccc(CNC(=O)C3COC3)cc2)cc1
InChIInChI=1S/C20H23N3O4/c1-26-18-8-4-15(5-9-18)11-22-20(25)23-17-6-2-14(3-7-17)10-21-19(24)16-12-27-13-16/h2-9,16H,10-13H2,1H3,(H,21,24)(H2,22,23,25)
InChIKeyFJCROZNYPAWKQM-UHFFFAOYSA-N
XLogP2.28
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]oxetane-3-carboxamide 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

N-[(4-methoxyphenyl)methyl]oxane-3-carboxamide
CID 110851625
methyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate
CID 34667949
1-[(4-methoxyphenyl)methyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]urea
CID 170288394
1-(4-formylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 156825217
1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 23795256
1-[4-(benzenesulfonyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156824686
1-[4-(diethylaminomethyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 166706407
1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27870188
1-[4-[(1S)-1-aminoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156824997
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
N-[3-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 30940006
1-[4-[3-[hydroxy(methyl)amino]propyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156825173

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]oxetane-3-carboxamide?
The IUPAC name of N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]oxetane-3-carboxamide (CID 166706454) is N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]oxetane-3-carboxamide.
What is the SMILES notation for N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]oxetane-3-carboxamide?
The canonical SMILES for N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]oxetane-3-carboxamide is COc1ccc(CNC(=O)Nc2ccc(CNC(=O)C3COC3)cc2)cc1.
What is the InChIKey of N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]oxetane-3-carboxamide?
The InChIKey is FJCROZNYPAWKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-26-18-8-4-15(5-9-18)11-22-20(25)23-17-6-2-14(3-7-17)10-21-19(24)16-12-27-13-16/h2-9,16H,10-13H2,1H3,(H,21,24)(H2,22,23,25).
What are the key properties of N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]oxetane-3-carboxamide?
N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]oxetane-3-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]oxetane-3-carboxamide is sourced from PubChem (CID 166706454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).