1-[(3,5-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)urea

C18H22N2O3 — CID 23762285

IUPAC1-[(3,5-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)urea
SMILESCOc1cc(CNC(=O)Nc2cc(C)ccc2C)cc(OC)c1
InChIInChI=1S/C18H22N2O3/c1-12-5-6-13(2)17(7-12)20-18(21)19-11-14-8-15(22-3)10-16(9-14)23-4/h5-10H,11H2,1-4H3,(H2,19,20,21)
InChIKeyVFWDIHJZYHARAD-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.64
Rot. Bonds5

About 1-[(3,5-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)urea

1-[(3,5-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)urea (PubChem CID 23762285) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[(3,5-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[(3,5-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)urea
PubChem CID23762285
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-[(3,5-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)urea
SMILESCOc1cc(CNC(=O)Nc2cc(C)ccc2C)cc(OC)c1
InChIInChI=1S/C18H22N2O3/c1-12-5-6-13(2)17(7-12)20-18(21)19-11-14-8-15(22-3)10-16(9-14)23-4/h5-10H,11H2,1-4H3,(H2,19,20,21)
InChIKeyVFWDIHJZYHARAD-UHFFFAOYSA-N
XLogP3.64
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 3114031
1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108990551
1-(2,5-dimethylphenyl)-3-(methoxymethyl)urea
CID 110675983
N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947053
1-[(3,5-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)urea
CID 23938828
1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 23795256
1-(2,5-dimethylphenyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 52768914
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
1-[(3-bromophenyl)methyl]-3-(2,5-dimethylphenyl)urea
CID 108898947
1-(2-hydroxy-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868237
1-[(3,5-dimethoxyphenyl)methyl]-3-phenylurea
CID 3367355
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)urea?
The IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)urea (CID 23762285) is 1-[(3,5-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)urea.
What is the SMILES notation for 1-[(3,5-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)urea?
The canonical SMILES for 1-[(3,5-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)urea is COc1cc(CNC(=O)Nc2cc(C)ccc2C)cc(OC)c1.
What is the InChIKey of 1-[(3,5-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)urea?
The InChIKey is VFWDIHJZYHARAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12-5-6-13(2)17(7-12)20-18(21)19-11-14-8-15(22-3)10-16(9-14)23-4/h5-10H,11H2,1-4H3,(H2,19,20,21).
What are the key properties of 1-[(3,5-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)urea?
1-[(3,5-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)urea has a molecular weight of 314.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)urea is sourced from PubChem (CID 23762285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).