1-[(4-hydroxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea

C16H25N3O3 — CID 44582229

IUPAC1-[(4-hydroxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea
SMILESCN(C)C(=O)N(CCN1CCOCC1)Cc1ccc(O)cc1
InChIInChI=1S/C16H25N3O3/c1-17(2)16(21)19(8-7-18-9-11-22-12-10-18)13-14-3-5-15(20)6-4-14/h3-6,20H,7-13H2,1-2H3
InChIKeySGWVJQJZPYOBQB-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.21
Rot. Bonds5

About 1-[(4-hydroxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea

1-[(4-hydroxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea (PubChem CID 44582229) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-[(4-hydroxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[(4-hydroxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea
PubChem CID44582229
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name1-[(4-hydroxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea
SMILESCN(C)C(=O)N(CCN1CCOCC1)Cc1ccc(O)cc1
InChIInChI=1S/C16H25N3O3/c1-17(2)16(21)19(8-7-18-9-11-22-12-10-18)13-14-3-5-15(20)6-4-14/h3-6,20H,7-13H2,1-2H3
InChIKeySGWVJQJZPYOBQB-UHFFFAOYSA-N
XLogP1.21
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-[(4-hydroxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea (CID 44582229) is 1-[(4-hydroxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-[(4-hydroxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-[(4-hydroxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea is CN(C)C(=O)N(CCN1CCOCC1)Cc1ccc(O)cc1.
What is the InChIKey of 1-[(4-hydroxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea?
The InChIKey is SGWVJQJZPYOBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-17(2)16(21)19(8-7-18-9-11-22-12-10-18)13-14-3-5-15(20)6-4-14/h3-6,20H,7-13H2,1-2H3.
What are the key properties of 1-[(4-hydroxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea?
1-[(4-hydroxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea has a molecular weight of 307.39 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 44582229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).