N-(diacetamidomethyl)acetamide

C7H13N3O3 — CID 536854

IUPACN-(diacetamidomethyl)acetamide
SMILESCC(=O)NC(NC(C)=O)NC(C)=O
InChIInChI=1S/C7H13N3O3/c1-4(11)8-7(9-5(2)12)10-6(3)13/h7H,1-3H3,(H,8,11)(H,9,12)(H,10,13)
InChIKeyIXWBEJQARFKXJY-UHFFFAOYSA-N
MW187.20 g/mol
LogP-1.32
Rot. Bonds3

About N-(diacetamidomethyl)acetamide

N-(diacetamidomethyl)acetamide (PubChem CID 536854) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is N-(diacetamidomethyl)acetamide.

Molecular Properties

Compound NameN-(diacetamidomethyl)acetamide
PubChem CID536854
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC NameN-(diacetamidomethyl)acetamide
SMILESCC(=O)NC(NC(C)=O)NC(C)=O
InChIInChI=1S/C7H13N3O3/c1-4(11)8-7(9-5(2)12)10-6(3)13/h7H,1-3H3,(H,8,11)(H,9,12)(H,10,13)
InChIKeyIXWBEJQARFKXJY-UHFFFAOYSA-N
XLogP-1.32
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(diacetamidomethyl)acetamide?
The IUPAC name of N-(diacetamidomethyl)acetamide (CID 536854) is N-(diacetamidomethyl)acetamide.
What is the SMILES notation for N-(diacetamidomethyl)acetamide?
The canonical SMILES for N-(diacetamidomethyl)acetamide is CC(=O)NC(NC(C)=O)NC(C)=O.
What is the InChIKey of N-(diacetamidomethyl)acetamide?
The InChIKey is IXWBEJQARFKXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3/c1-4(11)8-7(9-5(2)12)10-6(3)13/h7H,1-3H3,(H,8,11)(H,9,12)(H,10,13).
What are the key properties of N-(diacetamidomethyl)acetamide?
N-(diacetamidomethyl)acetamide has a molecular weight of 187.20 g/mol, XLogP of -1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diacetamidomethyl)acetamide is sourced from PubChem (CID 536854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).