2-amino-N-[2-(1,4-dioxan-2-ylmethylamino)-2-oxoethyl]acetamide

C9H17N3O4 — CID 61023955

IUPAC2-amino-N-[2-(1,4-dioxan-2-ylmethylamino)-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)NCC1COCCO1
InChIInChI=1S/C9H17N3O4/c10-3-8(13)12-5-9(14)11-4-7-6-15-1-2-16-7/h7H,1-6,10H2,(H,11,14)(H,12,13)
InChIKeyRWNDKGJJOOQMQB-UHFFFAOYSA-N
MW231.25 g/mol
LogP-2.41
Rot. Bonds5

About 2-amino-N-[2-(1,4-dioxan-2-ylmethylamino)-2-oxoethyl]acetamide

2-amino-N-[2-(1,4-dioxan-2-ylmethylamino)-2-oxoethyl]acetamide (PubChem CID 61023955) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-amino-N-[2-(1,4-dioxan-2-ylmethylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(1,4-dioxan-2-ylmethylamino)-2-oxoethyl]acetamide
PubChem CID61023955
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name2-amino-N-[2-(1,4-dioxan-2-ylmethylamino)-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)NCC1COCCO1
InChIInChI=1S/C9H17N3O4/c10-3-8(13)12-5-9(14)11-4-7-6-15-1-2-16-7/h7H,1-6,10H2,(H,11,14)(H,12,13)
InChIKeyRWNDKGJJOOQMQB-UHFFFAOYSA-N
XLogP-2.41
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-2.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 3126767
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CID 3126765
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CID 53525516
2-(2-ethylmorpholin-4-yl)-N-propylacetamide
CID 53525517
1,4-Dioxa-7,10,13-triazacyclopentadecane-8,12-dione
CID 12997860
2-(1,4-dioxan-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60976911
N-(1,4-dioxan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958288
2-(1,4-dioxan-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 113480867
1-[2-(Methoxymethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 137854547
N-(2-methoxyethyl)-N'-[3-(propan-2-yloxy)propyl]ethanediamide
CID 2292748
N-(3-methoxypropyl)-N'-(2-morpholin-4-ylethyl)oxamide
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3-Azaniumylpropyl-[2-(2,3-diacetyloxypropylamino)-2-oxoethyl]azanium
CID 20646579

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(1,4-dioxan-2-ylmethylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-(1,4-dioxan-2-ylmethylamino)-2-oxoethyl]acetamide (CID 61023955) is 2-amino-N-[2-(1,4-dioxan-2-ylmethylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(1,4-dioxan-2-ylmethylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(1,4-dioxan-2-ylmethylamino)-2-oxoethyl]acetamide is NCC(=O)NCC(=O)NCC1COCCO1.
What is the InChIKey of 2-amino-N-[2-(1,4-dioxan-2-ylmethylamino)-2-oxoethyl]acetamide?
The InChIKey is RWNDKGJJOOQMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4/c10-3-8(13)12-5-9(14)11-4-7-6-15-1-2-16-7/h7H,1-6,10H2,(H,11,14)(H,12,13).
What are the key properties of 2-amino-N-[2-(1,4-dioxan-2-ylmethylamino)-2-oxoethyl]acetamide?
2-amino-N-[2-(1,4-dioxan-2-ylmethylamino)-2-oxoethyl]acetamide has a molecular weight of 231.25 g/mol, XLogP of -2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(1,4-dioxan-2-ylmethylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 61023955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).