1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea

C11H16N2O2 — CID 115575178

IUPAC1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea
SMILESCNC(=O)N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C11H16N2O2/c1-12-11(14)13(2)8-9-4-6-10(15-3)7-5-9/h4-7H,8H2,1-3H3,(H,12,14)
InChIKeyXRFSSOAFHVHPJN-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.47
Rot. Bonds3

About 1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea

1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea (PubChem CID 115575178) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea
PubChem CID115575178
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea
SMILESCNC(=O)N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C11H16N2O2/c1-12-11(14)13(2)8-9-4-6-10(15-3)7-5-9/h4-7H,8H2,1-3H3,(H,12,14)
InChIKeyXRFSSOAFHVHPJN-UHFFFAOYSA-N
XLogP1.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 61417680
3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-N,N-dimethylpropanamide
CID 87007745
3-chloro-N-[(4-methoxyphenyl)methyl-methylcarbamoyl]propanamide
CID 61418008
3-(4-aminophenyl)-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 61418141
1-[(4-tert-butylphenyl)methyl]-1,3-dimethylurea
CID 47127305
1,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]urea
CID 47127099
2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 79791741
3-[2-(dimethylamino)phenyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 86988400
(2R)-2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]pentanoic acid
CID 107566389
1,3-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 115169295
N,N-diethyl-4-[[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide
CID 55795743
1-(4-methoxyphenyl)-1,3-dimethylurea
CID 116655338

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea (CID 115575178) is 1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea is CNC(=O)N(C)Cc1ccc(OC)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea?
The InChIKey is XRFSSOAFHVHPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-12-11(14)13(2)8-9-4-6-10(15-3)7-5-9/h4-7H,8H2,1-3H3,(H,12,14).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea?
1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea has a molecular weight of 208.26 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea is sourced from PubChem (CID 115575178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).