2-(1,4-dioxan-2-ylmethylamino)-N-propylacetamide

C10H20N2O3 — CID 60976608

IUPAC2-(1,4-dioxan-2-ylmethylamino)-N-propylacetamide
SMILESCCCNC(=O)CNCC1COCCO1
InChIInChI=1S/C10H20N2O3/c1-2-3-12-10(13)7-11-6-9-8-14-4-5-15-9/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyGONVYCXNOADAEU-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.48
Rot. Bonds6

About 2-(1,4-dioxan-2-ylmethylamino)-N-propylacetamide

2-(1,4-dioxan-2-ylmethylamino)-N-propylacetamide (PubChem CID 60976608) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-ylmethylamino)-N-propylacetamide.

Molecular Properties

Compound Name2-(1,4-dioxan-2-ylmethylamino)-N-propylacetamide
PubChem CID60976608
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-(1,4-dioxan-2-ylmethylamino)-N-propylacetamide
SMILESCCCNC(=O)CNCC1COCCO1
InChIInChI=1S/C10H20N2O3/c1-2-3-12-10(13)7-11-6-9-8-14-4-5-15-9/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyGONVYCXNOADAEU-UHFFFAOYSA-N
XLogP-0.48
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-Isopropoxy-propyl)-N'-(3-methoxy-propyl)-oxalamide
CID 3126767
N-methyl-N'-[3-(morpholin-4-yl)propyl]ethanediamide
CID 3126762
N,N'-Bis-(3-isopropoxy-propyl)-oxalamide
CID 3126765
2-{Methyl[(morpholin-2-yl)methyl]amino}acetamide
CID 64533243
2-(2-ethylmorpholin-4-yl)-N-(2-methylpropyl)acetamide
CID 42954982
N-(2-cyanoethyl)-2-(2-ethylmorpholin-4-yl)acetamide
CID 45810932
2-(2-ethylmorpholin-4-yl)-N-propan-2-ylacetamide
CID 53525512
2-(2-ethylmorpholin-4-yl)-N-(2-methoxyethyl)acetamide
CID 53525516
2-(2-ethylmorpholin-4-yl)-N-propylacetamide
CID 53525517
2-[(2~{R},5~{S})-2,5-dimethylmorpholin-4-yl]-~{N}-ethyl-ethanamide
CID 94066300
N-(2-cyanoethyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 45798560
2-[butyl-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]acetamide
CID 94163391

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-ylmethylamino)-N-propylacetamide?
The IUPAC name of 2-(1,4-dioxan-2-ylmethylamino)-N-propylacetamide (CID 60976608) is 2-(1,4-dioxan-2-ylmethylamino)-N-propylacetamide.
What is the SMILES notation for 2-(1,4-dioxan-2-ylmethylamino)-N-propylacetamide?
The canonical SMILES for 2-(1,4-dioxan-2-ylmethylamino)-N-propylacetamide is CCCNC(=O)CNCC1COCCO1.
What is the InChIKey of 2-(1,4-dioxan-2-ylmethylamino)-N-propylacetamide?
The InChIKey is GONVYCXNOADAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-2-3-12-10(13)7-11-6-9-8-14-4-5-15-9/h9,11H,2-8H2,1H3,(H,12,13).
What are the key properties of 2-(1,4-dioxan-2-ylmethylamino)-N-propylacetamide?
2-(1,4-dioxan-2-ylmethylamino)-N-propylacetamide has a molecular weight of 216.28 g/mol, XLogP of -0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-ylmethylamino)-N-propylacetamide is sourced from PubChem (CID 60976608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).