1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(3-methoxyphenyl)-1-methylurea

C17H20N2O4 — CID 87044605

IUPAC1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(3-methoxyphenyl)-1-methylurea
SMILESCOc1cccc(NC(=O)N(C)Cc2ccc(OC)c(O)c2)c1
InChIInChI=1S/C17H20N2O4/c1-19(11-12-7-8-16(23-3)15(20)9-12)17(21)18-13-5-4-6-14(10-13)22-2/h4-10,20H,11H2,1-3H3,(H,18,21)
InChIKeyUYLRKFWVXSOVQJ-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.07
Rot. Bonds5

About 1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(3-methoxyphenyl)-1-methylurea

1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(3-methoxyphenyl)-1-methylurea (PubChem CID 87044605) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(3-methoxyphenyl)-1-methylurea.

Molecular Properties

Compound Name1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(3-methoxyphenyl)-1-methylurea
PubChem CID87044605
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(3-methoxyphenyl)-1-methylurea
SMILESCOc1cccc(NC(=O)N(C)Cc2ccc(OC)c(O)c2)c1
InChIInChI=1S/C17H20N2O4/c1-19(11-12-7-8-16(23-3)15(20)9-12)17(21)18-13-5-4-6-14(10-13)22-2/h4-10,20H,11H2,1-3H3,(H,18,21)
InChIKeyUYLRKFWVXSOVQJ-UHFFFAOYSA-N
XLogP3.07
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methoxyphenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 55698533
3-(3,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 86986919
1-[(6-methoxynaphthalen-2-yl)methyl]-3-(3-methoxyphenyl)-1-methylthiourea
CID 8600127
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
CID 8895902
N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 119744992
1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea
CID 51328279
3-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119301207
1-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-methylurea
CID 54992248
N'-benzyl-N-(3-methoxyphenyl)-N'-methylpropanediamide
CID 108946133
3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 87010136
1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]-1-methylurea
CID 55819420
1-[(4-methoxyphenyl)methyl]-1-methyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 87035840

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(3-methoxyphenyl)-1-methylurea?
The IUPAC name of 1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(3-methoxyphenyl)-1-methylurea (CID 87044605) is 1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(3-methoxyphenyl)-1-methylurea.
What is the SMILES notation for 1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(3-methoxyphenyl)-1-methylurea?
The canonical SMILES for 1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(3-methoxyphenyl)-1-methylurea is COc1cccc(NC(=O)N(C)Cc2ccc(OC)c(O)c2)c1.
What is the InChIKey of 1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(3-methoxyphenyl)-1-methylurea?
The InChIKey is UYLRKFWVXSOVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-19(11-12-7-8-16(23-3)15(20)9-12)17(21)18-13-5-4-6-14(10-13)22-2/h4-10,20H,11H2,1-3H3,(H,18,21).
What are the key properties of 1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(3-methoxyphenyl)-1-methylurea?
1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(3-methoxyphenyl)-1-methylurea has a molecular weight of 316.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(3-methoxyphenyl)-1-methylurea is sourced from PubChem (CID 87044605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).