1-(4-formylphenyl)-3-[(4-methoxyphenyl)methyl]urea

C16H16N2O3 — CID 156825217

IUPAC1-(4-formylphenyl)-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(C=O)cc2)cc1
InChIInChI=1S/C16H16N2O3/c1-21-15-8-4-12(5-9-15)10-17-16(20)18-14-6-2-13(11-19)3-7-14/h2-9,11H,10H2,1H3,(H2,17,18,20)
InChIKeyRLCLUNMFCIWQKW-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.83
Rot. Bonds5

About 1-(4-formylphenyl)-3-[(4-methoxyphenyl)methyl]urea

1-(4-formylphenyl)-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 156825217) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-(4-formylphenyl)-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(4-formylphenyl)-3-[(4-methoxyphenyl)methyl]urea
PubChem CID156825217
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name1-(4-formylphenyl)-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(C=O)cc2)cc1
InChIInChI=1S/C16H16N2O3/c1-21-15-8-4-12(5-9-15)10-17-16(20)18-14-6-2-13(11-19)3-7-14/h2-9,11H,10H2,1H3,(H2,17,18,20)
InChIKeyRLCLUNMFCIWQKW-UHFFFAOYSA-N
XLogP2.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate
CID 34667949
1-[4-(diethylaminomethyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 166706407
1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 23795256
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-ethyl-N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]acetamide
CID 166706560
1-[4-[3-[hydroxy(methyl)amino]propyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156825173
1-[4-(4-cyanophenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 60591596
1-[4-(benzenesulfonyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156824686
1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethyl)phenyl]urea
CID 156824740
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108907604

Frequently Asked Questions

What is the IUPAC name of 1-(4-formylphenyl)-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-(4-formylphenyl)-3-[(4-methoxyphenyl)methyl]urea (CID 156825217) is 1-(4-formylphenyl)-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(4-formylphenyl)-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-(4-formylphenyl)-3-[(4-methoxyphenyl)methyl]urea is COc1ccc(CNC(=O)Nc2ccc(C=O)cc2)cc1.
What is the InChIKey of 1-(4-formylphenyl)-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is RLCLUNMFCIWQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-21-15-8-4-12(5-9-15)10-17-16(20)18-14-6-2-13(11-19)3-7-14/h2-9,11H,10H2,1H3,(H2,17,18,20).
What are the key properties of 1-(4-formylphenyl)-3-[(4-methoxyphenyl)methyl]urea?
1-(4-formylphenyl)-3-[(4-methoxyphenyl)methyl]urea has a molecular weight of 284.32 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-formylphenyl)-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 156825217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).