N-carbamoyl-2-(1,4-dioxan-2-ylmethylamino)acetamide

C8H15N3O4 — CID 60976759

IUPACN-carbamoyl-2-(1,4-dioxan-2-ylmethylamino)acetamide
SMILESNC(=O)NC(=O)CNCC1COCCO1
InChIInChI=1S/C8H15N3O4/c9-8(13)11-7(12)4-10-3-6-5-14-1-2-15-6/h6,10H,1-5H2,(H3,9,11,12,13)
InChIKeyOBECRRLTQYCKJE-UHFFFAOYSA-N
MW217.22 g/mol
LogP-1.81
Rot. Bonds4

About N-carbamoyl-2-(1,4-dioxan-2-ylmethylamino)acetamide

N-carbamoyl-2-(1,4-dioxan-2-ylmethylamino)acetamide (PubChem CID 60976759) has the molecular formula C8H15N3O4 and a molecular weight of 217.22 g/mol. Its IUPAC name is N-carbamoyl-2-(1,4-dioxan-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(1,4-dioxan-2-ylmethylamino)acetamide
PubChem CID60976759
Molecular FormulaC8H15N3O4
Molecular Weight217.22 g/mol
Exact Mass217.11
IUPAC NameN-carbamoyl-2-(1,4-dioxan-2-ylmethylamino)acetamide
SMILESNC(=O)NC(=O)CNCC1COCCO1
InChIInChI=1S/C8H15N3O4/c9-8(13)11-7(12)4-10-3-6-5-14-1-2-15-6/h6,10H,1-5H2,(H3,9,11,12,13)
InChIKeyOBECRRLTQYCKJE-UHFFFAOYSA-N
XLogP-1.81
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-1.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-carbamoyl-2-(1,4-dioxan-2-ylmethylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,4-dioxan-2-ylmethylamino)-N-(methylcarbamoyl)propanamide
CID 54907504
2-(1,4-dioxan-2-ylmethylamino)-N-(ethylcarbamoyl)propanamide
CID 54907505
2-(1,4-dioxan-2-ylmethylamino)-N-(3-methoxypropyl)acetamide
CID 54957248
2-(1,4-Dioxan-2-ylmethylamino)acetamide
CID 60975566
2-(1,4-dioxan-2-ylmethylamino)-N-propylacetamide
CID 60976608
N-(cyanomethyl)-2-(1,4-dioxan-2-ylmethylamino)acetamide
CID 61023152
2-amino-N-[2-(1,4-dioxan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 61023955
N-(2-aminoethyl)-N'-(1,4-dioxan-2-ylmethyl)oxamide
CID 61023960
N-(1,4-dioxan-2-ylmethyl)-2-(methylamino)acetamide
CID 61024343
N-carbamoyl-2-(1,4-dioxan-2-ylmethylamino)propanamide
CID 61024473
2-(1,4-dioxan-2-ylmethylamino)-N-ethylacetamide
CID 61024475
1-(1,4-Dioxan-2-ylmethyl)imidazolidine-2,4,5-trione
CID 61024888

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(1,4-dioxan-2-ylmethylamino)acetamide?
The IUPAC name of N-carbamoyl-2-(1,4-dioxan-2-ylmethylamino)acetamide (CID 60976759) is N-carbamoyl-2-(1,4-dioxan-2-ylmethylamino)acetamide.
What is the SMILES notation for N-carbamoyl-2-(1,4-dioxan-2-ylmethylamino)acetamide?
The canonical SMILES for N-carbamoyl-2-(1,4-dioxan-2-ylmethylamino)acetamide is NC(=O)NC(=O)CNCC1COCCO1.
What is the InChIKey of N-carbamoyl-2-(1,4-dioxan-2-ylmethylamino)acetamide?
The InChIKey is OBECRRLTQYCKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4/c9-8(13)11-7(12)4-10-3-6-5-14-1-2-15-6/h6,10H,1-5H2,(H3,9,11,12,13).
What are the key properties of N-carbamoyl-2-(1,4-dioxan-2-ylmethylamino)acetamide?
N-carbamoyl-2-(1,4-dioxan-2-ylmethylamino)acetamide has a molecular weight of 217.22 g/mol, XLogP of -1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(1,4-dioxan-2-ylmethylamino)acetamide is sourced from PubChem (CID 60976759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).