N-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide

C12H13NO3 — CID 7732666

IUPACN-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NCc1ccccc1)C1=COCCO1
InChIInChI=1S/C12H13NO3/c14-12(11-9-15-6-7-16-11)13-8-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,13,14)
InChIKeyNLWBKCOTOUXYDY-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.19
Rot. Bonds3

About N-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide

N-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 7732666) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID7732666
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC NameN-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NCc1ccccc1)C1=COCCO1
InChIInChI=1S/C12H13NO3/c14-12(11-9-15-6-7-16-11)13-8-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,13,14)
InChIKeyNLWBKCOTOUXYDY-UHFFFAOYSA-N
XLogP1.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 106385305
N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 29447949
N-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 24551070
N-[2-(4-aminophenyl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 63237622
N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 718621
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
2-(benzylcarbamoyl)cyclohexene-1-carboxylic acid
CID 4990695
N-benzyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777041
1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide
CID 70015173
N-(2-cyclohexyl-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 91652823
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 9341842
N-[2-[(2-phenylacetyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 84585411

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 7732666) is N-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(NCc1ccccc1)C1=COCCO1.
What is the InChIKey of N-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is NLWBKCOTOUXYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c14-12(11-9-15-6-7-16-11)13-8-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,13,14).
What are the key properties of N-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 7732666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).