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

C11H21N3O4 — CID 54907505

IUPAC2-(1,4-dioxan-2-ylmethylamino)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)NCC1COCCO1
InChIInChI=1S/C11H21N3O4/c1-3-12-11(16)14-10(15)8(2)13-6-9-7-17-4-5-18-9/h8-9,13H,3-7H2,1-2H3,(H2,12,14,15,16)
InChIKeyKXUIWWCMKCBXCC-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.77
Rot. Bonds5

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

2-(1,4-dioxan-2-ylmethylamino)-N-(ethylcarbamoyl)propanamide (PubChem CID 54907505) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-ylmethylamino)-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(1,4-dioxan-2-ylmethylamino)-N-(ethylcarbamoyl)propanamide
PubChem CID54907505
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name2-(1,4-dioxan-2-ylmethylamino)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)NCC1COCCO1
InChIInChI=1S/C11H21N3O4/c1-3-12-11(16)14-10(15)8(2)13-6-9-7-17-4-5-18-9/h8-9,13H,3-7H2,1-2H3,(H2,12,14,15,16)
InChIKeyKXUIWWCMKCBXCC-UHFFFAOYSA-N
XLogP-0.77
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.77
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-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-(1,4-dioxan-2-ylmethylamino)-N-(ethylcarbamoyl)propanamide (CID 54907505) is 2-(1,4-dioxan-2-ylmethylamino)-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-(1,4-dioxan-2-ylmethylamino)-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-(1,4-dioxan-2-ylmethylamino)-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)NCC1COCCO1.
What is the InChIKey of 2-(1,4-dioxan-2-ylmethylamino)-N-(ethylcarbamoyl)propanamide?
The InChIKey is KXUIWWCMKCBXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-3-12-11(16)14-10(15)8(2)13-6-9-7-17-4-5-18-9/h8-9,13H,3-7H2,1-2H3,(H2,12,14,15,16).
What are the key properties of 2-(1,4-dioxan-2-ylmethylamino)-N-(ethylcarbamoyl)propanamide?
2-(1,4-dioxan-2-ylmethylamino)-N-(ethylcarbamoyl)propanamide has a molecular weight of 259.31 g/mol, XLogP of -0.77, 5 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-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 54907505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).