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

C10H18N2O3 — CID 115302597

IUPACN-[2-methyl-3-(methylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCNCC(C)CNC(=O)C1=COCCO1
InChIInChI=1S/C10H18N2O3/c1-8(5-11-2)6-12-10(13)9-7-14-3-4-15-9/h7-8,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyKAWNLPMMLDHUFM-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.15
Rot. Bonds5

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

N-[2-methyl-3-(methylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 115302597) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is N-[2-methyl-3-(methylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-(methylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID115302597
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC NameN-[2-methyl-3-(methylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCNCC(C)CNC(=O)C1=COCCO1
InChIInChI=1S/C10H18N2O3/c1-8(5-11-2)6-12-10(13)9-7-14-3-4-15-9/h7-8,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyKAWNLPMMLDHUFM-UHFFFAOYSA-N
XLogP-0.15
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 43392740
(3S)-3-[(2,3-dihydro-1,4-dioxine-5-carbonylamino)methyl]-5-methylhexanoic acid
CID 65493277
3-[(2,3-dihydro-1,4-dioxine-5-carbonylamino)methyl]pentanoic acid
CID 81067002
5-(2,3-dihydro-1,4-dioxine-5-carbonylamino)hexanoic acid
CID 82854747
N-[(2R)-1-hydroxybutan-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 103920042
N-pent-4-ynyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 103708956
4-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 81479378
3-methyl-N-[2-methyl-3-(methylamino)propyl]furan-2-carboxamide
CID 81479014
2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]furan-3-carboxamide
CID 81487603
5-methyl-N-[(2S)-2-methyl-3-(methylamino)propyl]-1,2-oxazole-3-carboxamide
CID 97325190
N-[(4-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 24575317
2-methyl-N-[2-methyl-3-(methylamino)propyl]pyrazole-3-carboxamide
CID 81478587

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(methylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[2-methyl-3-(methylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 115302597) is N-[2-methyl-3-(methylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[2-methyl-3-(methylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[2-methyl-3-(methylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is CNCC(C)CNC(=O)C1=COCCO1.
What is the InChIKey of N-[2-methyl-3-(methylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is KAWNLPMMLDHUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-8(5-11-2)6-12-10(13)9-7-14-3-4-15-9/h7-8,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of N-[2-methyl-3-(methylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[2-methyl-3-(methylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 214.26 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(methylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 115302597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).