2-(1,4-dioxan-2-ylmethylamino)-N-(methylcarbamoyl)propanamide

C10H19N3O4 — CID 54907504

IUPAC2-(1,4-dioxan-2-ylmethylamino)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)NCC1COCCO1
InChIInChI=1S/C10H19N3O4/c1-7(9(14)13-10(15)11-2)12-5-8-6-16-3-4-17-8/h7-8,12H,3-6H2,1-2H3,(H2,11,13,14,15)
InChIKeyYYSOSWPYOROMOM-UHFFFAOYSA-N
MW245.28 g/mol
LogP-1.16
Rot. Bonds4

About 2-(1,4-dioxan-2-ylmethylamino)-N-(methylcarbamoyl)propanamide

2-(1,4-dioxan-2-ylmethylamino)-N-(methylcarbamoyl)propanamide (PubChem CID 54907504) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-ylmethylamino)-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(1,4-dioxan-2-ylmethylamino)-N-(methylcarbamoyl)propanamide
PubChem CID54907504
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-(1,4-dioxan-2-ylmethylamino)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)NCC1COCCO1
InChIInChI=1S/C10H19N3O4/c1-7(9(14)13-10(15)11-2)12-5-8-6-16-3-4-17-8/h7-8,12H,3-6H2,1-2H3,(H2,11,13,14,15)
InChIKeyYYSOSWPYOROMOM-UHFFFAOYSA-N
XLogP-1.16
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-ylmethylamino)-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-(1,4-dioxan-2-ylmethylamino)-N-(methylcarbamoyl)propanamide (CID 54907504) is 2-(1,4-dioxan-2-ylmethylamino)-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-(1,4-dioxan-2-ylmethylamino)-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-(1,4-dioxan-2-ylmethylamino)-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)NCC1COCCO1.
What is the InChIKey of 2-(1,4-dioxan-2-ylmethylamino)-N-(methylcarbamoyl)propanamide?
The InChIKey is YYSOSWPYOROMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-7(9(14)13-10(15)11-2)12-5-8-6-16-3-4-17-8/h7-8,12H,3-6H2,1-2H3,(H2,11,13,14,15).
What are the key properties of 2-(1,4-dioxan-2-ylmethylamino)-N-(methylcarbamoyl)propanamide?
2-(1,4-dioxan-2-ylmethylamino)-N-(methylcarbamoyl)propanamide has a molecular weight of 245.28 g/mol, XLogP of -1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-ylmethylamino)-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 54907504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).