1-[4-(diethylaminomethyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea

C20H27N3O2 — CID 166706407

IUPAC1-[4-(diethylaminomethyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCCN(CC)Cc1ccc(NC(=O)NCc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H27N3O2/c1-4-23(5-2)15-17-6-10-18(11-7-17)22-20(24)21-14-16-8-12-19(25-3)13-9-16/h6-13H,4-5,14-15H2,1-3H3,(H2,21,22,24)
InChIKeyOYCNIHCOTKDHIR-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.86
Rot. Bonds8

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

1-[4-(diethylaminomethyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 166706407) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[4-(diethylaminomethyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[4-(diethylaminomethyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
PubChem CID166706407
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name1-[4-(diethylaminomethyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCCN(CC)Cc1ccc(NC(=O)NCc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H27N3O2/c1-4-23(5-2)15-17-6-10-18(11-7-17)22-20(24)21-14-16-8-12-19(25-3)13-9-16/h6-13H,4-5,14-15H2,1-3H3,(H2,21,22,24)
InChIKeyOYCNIHCOTKDHIR-UHFFFAOYSA-N
XLogP3.86
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]acetamide
CID 166706560
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide
CID 8947686
1-(4-formylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 156825217
methyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate
CID 34667949
N-[4-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]-N-methylacetamide
CID 86862691
1-[4-[3-[hydroxy(methyl)amino]propyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156825173
1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 23795256
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-methoxyphenoxy)propanamide
CID 27332548
1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868181
1-[4-[(1S)-1-aminoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156824997
1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27870188
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylaminomethyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[4-(diethylaminomethyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea (CID 166706407) is 1-[4-(diethylaminomethyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[4-(diethylaminomethyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[4-(diethylaminomethyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea is CCN(CC)Cc1ccc(NC(=O)NCc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[4-(diethylaminomethyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is OYCNIHCOTKDHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-4-23(5-2)15-17-6-10-18(11-7-17)22-20(24)21-14-16-8-12-19(25-3)13-9-16/h6-13H,4-5,14-15H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-[4-(diethylaminomethyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea?
1-[4-(diethylaminomethyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea has a molecular weight of 341.46 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylaminomethyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 166706407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).