6-methyl-N-[3-(3-methylanilino)-3-oxopropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

C16H20N2O4 — CID 131935086

IUPAC6-methyl-N-[3-(3-methylanilino)-3-oxopropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC1=C(C(=O)NCCC(=O)Nc2cccc(C)c2)OCCO1
InChIInChI=1S/C16H20N2O4/c1-11-4-3-5-13(10-11)18-14(19)6-7-17-16(20)15-12(2)21-8-9-22-15/h3-5,10H,6-9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyBJRIPMLEHZWYBF-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.72
Rot. Bonds5

About 6-methyl-N-[3-(3-methylanilino)-3-oxopropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

6-methyl-N-[3-(3-methylanilino)-3-oxopropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 131935086) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 6-methyl-N-[3-(3-methylanilino)-3-oxopropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[3-(3-methylanilino)-3-oxopropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID131935086
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name6-methyl-N-[3-(3-methylanilino)-3-oxopropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC1=C(C(=O)NCCC(=O)Nc2cccc(C)c2)OCCO1
InChIInChI=1S/C16H20N2O4/c1-11-4-3-5-13(10-11)18-14(19)6-7-17-16(20)15-12(2)21-8-9-22-15/h3-5,10H,6-9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyBJRIPMLEHZWYBF-UHFFFAOYSA-N
XLogP1.72
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(3-methylphenyl)propanamide
CID 47097671
N-[3-(3-methylanilino)-3-oxopropyl]-1,2-oxazole-5-carboxamide
CID 131915937
3-methoxy-N-[3-(3-methylanilino)-3-oxopropyl]benzamide
CID 17226085
(2R)-N-[3-(3-methylanilino)-3-oxopropyl]-1,4-dioxane-2-carboxamide
CID 95200054
3-(4-bromoanilino)-N-(3-methylphenyl)propanamide
CID 109034162
4-hydroxy-N-(3-methylphenyl)butanamide
CID 11367548
2-chloro-N-[3-(3-methylanilino)-3-oxopropyl]-1,3-benzoxazole-5-carboxamide
CID 100787478
N-(3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 47377806
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylphenyl)-5-oxopentanamide
CID 110344578
3-(4-tert-butylanilino)-N-(3-methylphenyl)propanamide
CID 109034148
5-(carbamoylamino)-N-(3-methylphenyl)pentanamide
CID 9039147
3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(3-methylphenyl)propanamide
CID 7343528

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-(3-methylanilino)-3-oxopropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of 6-methyl-N-[3-(3-methylanilino)-3-oxopropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 131935086) is 6-methyl-N-[3-(3-methylanilino)-3-oxopropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for 6-methyl-N-[3-(3-methylanilino)-3-oxopropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for 6-methyl-N-[3-(3-methylanilino)-3-oxopropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is CC1=C(C(=O)NCCC(=O)Nc2cccc(C)c2)OCCO1.
What is the InChIKey of 6-methyl-N-[3-(3-methylanilino)-3-oxopropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is BJRIPMLEHZWYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-11-4-3-5-13(10-11)18-14(19)6-7-17-16(20)15-12(2)21-8-9-22-15/h3-5,10H,6-9H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 6-methyl-N-[3-(3-methylanilino)-3-oxopropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
6-methyl-N-[3-(3-methylanilino)-3-oxopropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-(3-methylanilino)-3-oxopropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 131935086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).