N-(2-methoxyethyl)-6-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

C16H25N3O4 — CID 131912052

IUPACN-(2-methoxyethyl)-6-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCOCCN(Cc1c(C)nn(C)c1C)C(=O)C1=C(C)OCCO1
InChIInChI=1S/C16H25N3O4/c1-11-14(12(2)18(4)17-11)10-19(6-7-21-5)16(20)15-13(3)22-8-9-23-15/h6-10H2,1-5H3
InChIKeyRQIPSJUEYSNHMT-UHFFFAOYSA-N
MW323.39 g/mol
LogP1.29
Rot. Bonds6

About N-(2-methoxyethyl)-6-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(2-methoxyethyl)-6-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 131912052) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID131912052
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC NameN-(2-methoxyethyl)-6-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCOCCN(Cc1c(C)nn(C)c1C)C(=O)C1=C(C)OCCO1
InChIInChI=1S/C16H25N3O4/c1-11-14(12(2)18(4)17-11)10-19(6-7-21-5)16(20)15-13(3)22-8-9-23-15/h6-10H2,1-5H3
InChIKeyRQIPSJUEYSNHMT-UHFFFAOYSA-N
XLogP1.29
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide
CID 77087479
3-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 138045016
(5S,7R)-N-(2-methoxyethyl)-5,7-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146111304
N-(2-methoxyethyl)-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 74247767
N-(2-methoxyethyl)-4-methyl-2-oxo-6-pentan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyran-3-carboxamide
CID 170506646
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[2-methoxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethanone
CID 91842274
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 76994049
N,1,3,5-tetramethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19477956
N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentanecarboxamide
CID 46396702
methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
CID 110731133
2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propanoic acid
CID 64686967
4-imidazol-1-yl-N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 74245945

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-6-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 131912052) is N-(2-methoxyethyl)-6-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-6-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is COCCN(Cc1c(C)nn(C)c1C)C(=O)C1=C(C)OCCO1.
What is the InChIKey of N-(2-methoxyethyl)-6-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is RQIPSJUEYSNHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-11-14(12(2)18(4)17-11)10-19(6-7-21-5)16(20)15-13(3)22-8-9-23-15/h6-10H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-6-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(2-methoxyethyl)-6-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 1.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 131912052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).