3-(1,4-dioxan-2-ylmethylamino)-N,N-dimethylpropanamide

C10H20N2O3 — CID 61023691

IUPAC3-(1,4-dioxan-2-ylmethylamino)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNCC1COCCO1
InChIInChI=1S/C10H20N2O3/c1-12(2)10(13)3-4-11-7-9-8-14-5-6-15-9/h9,11H,3-8H2,1-2H3
InChIKeyDZERKDCVCKBXHO-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.53
Rot. Bonds5

About 3-(1,4-dioxan-2-ylmethylamino)-N,N-dimethylpropanamide

3-(1,4-dioxan-2-ylmethylamino)-N,N-dimethylpropanamide (PubChem CID 61023691) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(1,4-dioxan-2-ylmethylamino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(1,4-dioxan-2-ylmethylamino)-N,N-dimethylpropanamide
PubChem CID61023691
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-(1,4-dioxan-2-ylmethylamino)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNCC1COCCO1
InChIInChI=1S/C10H20N2O3/c1-12(2)10(13)3-4-11-7-9-8-14-5-6-15-9/h9,11H,3-8H2,1-2H3
InChIKeyDZERKDCVCKBXHO-UHFFFAOYSA-N
XLogP-0.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-morpholin-4-ylpropanamide;hydrochloride
CID 45264777
4-ethyl-N-(2-methoxyethyl)morpholine-2-carboxamide
CID 72121023
N-methyl-3-morpholin-4-ylpropanamide
CID 21035093
N-[3-[2-[2-(dimethylamino)ethoxy]ethoxy]-2-fluorobutyl]propanamide
CID 155739473
3-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methylmorpholin-2-yl)ethyl]propanamide
CID 56718756
3-(2,6-dimethylmorpholin-4-yl)-N-[2-(4-methylmorpholin-2-yl)ethyl]propanamide
CID 76406343
N-(3-morpholin-4-ylpropyl)propanamide
CID 3624573
3-Amino-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 16784840
3-(Methylamino)-1-morpholinopropan-1-one
CID 18988030
1-[2-(Aminomethyl)morpholin-4-yl]propan-1-one
CID 24262565
3-amino-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 30077373
3-(3-Morpholin-4-ylpropylamino)propanamide
CID 43236507

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxan-2-ylmethylamino)-N,N-dimethylpropanamide?
The IUPAC name of 3-(1,4-dioxan-2-ylmethylamino)-N,N-dimethylpropanamide (CID 61023691) is 3-(1,4-dioxan-2-ylmethylamino)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(1,4-dioxan-2-ylmethylamino)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(1,4-dioxan-2-ylmethylamino)-N,N-dimethylpropanamide is CN(C)C(=O)CCNCC1COCCO1.
What is the InChIKey of 3-(1,4-dioxan-2-ylmethylamino)-N,N-dimethylpropanamide?
The InChIKey is DZERKDCVCKBXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-12(2)10(13)3-4-11-7-9-8-14-5-6-15-9/h9,11H,3-8H2,1-2H3.
What are the key properties of 3-(1,4-dioxan-2-ylmethylamino)-N,N-dimethylpropanamide?
3-(1,4-dioxan-2-ylmethylamino)-N,N-dimethylpropanamide has a molecular weight of 216.28 g/mol, XLogP of -0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxan-2-ylmethylamino)-N,N-dimethylpropanamide is sourced from PubChem (CID 61023691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).