1-[(4-methoxyphenyl)methyl]-3-(3,4,5-triethoxyphenyl)urea

C21H28N2O5 — CID 108869673

IUPAC1-[(4-methoxyphenyl)methyl]-3-(3,4,5-triethoxyphenyl)urea
SMILESCCOc1cc(NC(=O)NCc2ccc(OC)cc2)cc(OCC)c1OCC
InChIInChI=1S/C21H28N2O5/c1-5-26-18-12-16(13-19(27-6-2)20(18)28-7-3)23-21(24)22-14-15-8-10-17(25-4)11-9-15/h8-13H,5-7,14H2,1-4H3,(H2,22,23,24)
InChIKeyHQSBPCDMKSYSDK-UHFFFAOYSA-N
MW388.46 g/mol
LogP4.21
Rot. Bonds10

About 1-[(4-methoxyphenyl)methyl]-3-(3,4,5-triethoxyphenyl)urea

1-[(4-methoxyphenyl)methyl]-3-(3,4,5-triethoxyphenyl)urea (PubChem CID 108869673) has the molecular formula C21H28N2O5 and a molecular weight of 388.46 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-(3,4,5-triethoxyphenyl)urea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-(3,4,5-triethoxyphenyl)urea
PubChem CID108869673
Molecular FormulaC21H28N2O5
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-(3,4,5-triethoxyphenyl)urea
SMILESCCOc1cc(NC(=O)NCc2ccc(OC)cc2)cc(OCC)c1OCC
InChIInChI=1S/C21H28N2O5/c1-5-26-18-12-16(13-19(27-6-2)20(18)28-7-3)23-21(24)22-14-15-8-10-17(25-4)11-9-15/h8-13H,5-7,14H2,1-4H3,(H2,22,23,24)
InChIKeyHQSBPCDMKSYSDK-UHFFFAOYSA-N
XLogP4.21
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884279
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
1-(4-ethylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869770
1-[2-(4-chlorophenyl)ethyl]-3-(3,4,5-triethoxyphenyl)urea
CID 108869954
3-bromo-5-ethoxy-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 7959624
N'-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947088
2-(2-ethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 16544819
1-[(4-bromophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 108866786
1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 23795256
1-[(4-methoxyphenyl)methyl]-3-propylurea
CID 41355184
methyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate
CID 34667949
1-[4-(diethylaminomethyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 166706407

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-(3,4,5-triethoxyphenyl)urea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-(3,4,5-triethoxyphenyl)urea (CID 108869673) is 1-[(4-methoxyphenyl)methyl]-3-(3,4,5-triethoxyphenyl)urea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-(3,4,5-triethoxyphenyl)urea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-(3,4,5-triethoxyphenyl)urea is CCOc1cc(NC(=O)NCc2ccc(OC)cc2)cc(OCC)c1OCC.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-(3,4,5-triethoxyphenyl)urea?
The InChIKey is HQSBPCDMKSYSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5/c1-5-26-18-12-16(13-19(27-6-2)20(18)28-7-3)23-21(24)22-14-15-8-10-17(25-4)11-9-15/h8-13H,5-7,14H2,1-4H3,(H2,22,23,24).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-(3,4,5-triethoxyphenyl)urea?
1-[(4-methoxyphenyl)methyl]-3-(3,4,5-triethoxyphenyl)urea has a molecular weight of 388.46 g/mol, XLogP of 4.21, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-(3,4,5-triethoxyphenyl)urea is sourced from PubChem (CID 108869673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).