N-[1-(4-hydroxyphenyl)ethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide

C14H17NO4 — CID 54913450

IUPACN-[1-(4-hydroxyphenyl)ethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC(c1ccc(O)cc1)N(C)C(=O)C1=COCCO1
InChIInChI=1S/C14H17NO4/c1-10(11-3-5-12(16)6-4-11)15(2)14(17)13-9-18-7-8-19-13/h3-6,9-10,16H,7-8H2,1-2H3
InChIKeyVSVBBKNWCICGCP-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.80
Rot. Bonds3

About N-[1-(4-hydroxyphenyl)ethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide

N-[1-(4-hydroxyphenyl)ethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 54913450) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is N-[1-(4-hydroxyphenyl)ethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-hydroxyphenyl)ethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID54913450
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC NameN-[1-(4-hydroxyphenyl)ethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC(c1ccc(O)cc1)N(C)C(=O)C1=COCCO1
InChIInChI=1S/C14H17NO4/c1-10(11-3-5-12(16)6-4-11)15(2)14(17)13-9-18-7-8-19-13/h3-6,9-10,16H,7-8H2,1-2H3
InChIKeyVSVBBKNWCICGCP-UHFFFAOYSA-N
XLogP1.80
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide;hydrochloride
CID 130621806
4-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044668
5-bromo-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide
CID 54913160
5-chloro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 54913499
3-hydroxy-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044546
N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide
CID 54913256
N-[1-(4-hydroxyphenyl)ethyl]-N,6-dimethylpyridine-2-carboxamide
CID 61043579
N-[1-(4-hydroxyphenyl)ethyl]-N,6-dimethylpyridine-3-carboxamide
CID 61044427
3-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61043700
2,4-dibromo-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 107939270
4-[1-(dimethylamino)ethyl]phenol
CID 3029886
N-[1-(4-hydroxyphenyl)ethyl]-N-methylpentanamide
CID 61042848

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxyphenyl)ethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[1-(4-hydroxyphenyl)ethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 54913450) is N-[1-(4-hydroxyphenyl)ethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[1-(4-hydroxyphenyl)ethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[1-(4-hydroxyphenyl)ethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide is CC(c1ccc(O)cc1)N(C)C(=O)C1=COCCO1.
What is the InChIKey of N-[1-(4-hydroxyphenyl)ethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is VSVBBKNWCICGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-10(11-3-5-12(16)6-4-11)15(2)14(17)13-9-18-7-8-19-13/h3-6,9-10,16H,7-8H2,1-2H3.
What are the key properties of N-[1-(4-hydroxyphenyl)ethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[1-(4-hydroxyphenyl)ethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 263.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxyphenyl)ethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 54913450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).