1-(furan-2-ylmethyl)-1-[(4-hydroxyphenyl)methyl]-3,3-dimethylurea

C15H18N2O3 — CID 44582261

IUPAC1-(furan-2-ylmethyl)-1-[(4-hydroxyphenyl)methyl]-3,3-dimethylurea
SMILESCN(C)C(=O)N(Cc1ccc(O)cc1)Cc1ccco1
InChIInChI=1S/C15H18N2O3/c1-16(2)15(19)17(11-14-4-3-9-20-14)10-12-5-7-13(18)8-6-12/h3-9,18H,10-11H2,1-2H3
InChIKeyGXJZGLXREOODLH-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.67
Rot. Bonds4

About 1-(furan-2-ylmethyl)-1-[(4-hydroxyphenyl)methyl]-3,3-dimethylurea

1-(furan-2-ylmethyl)-1-[(4-hydroxyphenyl)methyl]-3,3-dimethylurea (PubChem CID 44582261) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-1-[(4-hydroxyphenyl)methyl]-3,3-dimethylurea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-1-[(4-hydroxyphenyl)methyl]-3,3-dimethylurea
PubChem CID44582261
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-(furan-2-ylmethyl)-1-[(4-hydroxyphenyl)methyl]-3,3-dimethylurea
SMILESCN(C)C(=O)N(Cc1ccc(O)cc1)Cc1ccco1
InChIInChI=1S/C15H18N2O3/c1-16(2)15(19)17(11-14-4-3-9-20-14)10-12-5-7-13(18)8-6-12/h3-9,18H,10-11H2,1-2H3
InChIKeyGXJZGLXREOODLH-UHFFFAOYSA-N
XLogP2.67
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-1-[(4-hydroxyphenyl)methyl]-3,3-dimethylurea?
The IUPAC name of 1-(furan-2-ylmethyl)-1-[(4-hydroxyphenyl)methyl]-3,3-dimethylurea (CID 44582261) is 1-(furan-2-ylmethyl)-1-[(4-hydroxyphenyl)methyl]-3,3-dimethylurea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-1-[(4-hydroxyphenyl)methyl]-3,3-dimethylurea?
The canonical SMILES for 1-(furan-2-ylmethyl)-1-[(4-hydroxyphenyl)methyl]-3,3-dimethylurea is CN(C)C(=O)N(Cc1ccc(O)cc1)Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-1-[(4-hydroxyphenyl)methyl]-3,3-dimethylurea?
The InChIKey is GXJZGLXREOODLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-16(2)15(19)17(11-14-4-3-9-20-14)10-12-5-7-13(18)8-6-12/h3-9,18H,10-11H2,1-2H3.
What are the key properties of 1-(furan-2-ylmethyl)-1-[(4-hydroxyphenyl)methyl]-3,3-dimethylurea?
1-(furan-2-ylmethyl)-1-[(4-hydroxyphenyl)methyl]-3,3-dimethylurea has a molecular weight of 274.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-1-[(4-hydroxyphenyl)methyl]-3,3-dimethylurea is sourced from PubChem (CID 44582261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).