N-[[acetamidomethyl(acetyl)amino]methyl]acetamide

C8H15N3O3 — CID 23599706

IUPACN-[[acetamidomethyl(acetyl)amino]methyl]acetamide
SMILESCC(=O)NCN(CNC(C)=O)C(C)=O
InChIInChI=1S/C8H15N3O3/c1-6(12)9-4-11(8(3)14)5-10-7(2)13/h4-5H2,1-3H3,(H,9,12)(H,10,13)
InChIKeyHHYJASQALQKGOL-UHFFFAOYSA-N
MW201.23 g/mol
LogP-0.98
Rot. Bonds4

About N-[[acetamidomethyl(acetyl)amino]methyl]acetamide

N-[[acetamidomethyl(acetyl)amino]methyl]acetamide (PubChem CID 23599706) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is N-[[acetamidomethyl(acetyl)amino]methyl]acetamide.

Molecular Properties

Compound NameN-[[acetamidomethyl(acetyl)amino]methyl]acetamide
PubChem CID23599706
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC NameN-[[acetamidomethyl(acetyl)amino]methyl]acetamide
SMILESCC(=O)NCN(CNC(C)=O)C(C)=O
InChIInChI=1S/C8H15N3O3/c1-6(12)9-4-11(8(3)14)5-10-7(2)13/h4-5H2,1-3H3,(H,9,12)(H,10,13)
InChIKeyHHYJASQALQKGOL-UHFFFAOYSA-N
XLogP-0.98
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
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-[[acetamidomethyl(acetyl)amino]methyl]acetamide?
The IUPAC name of N-[[acetamidomethyl(acetyl)amino]methyl]acetamide (CID 23599706) is N-[[acetamidomethyl(acetyl)amino]methyl]acetamide.
What is the SMILES notation for N-[[acetamidomethyl(acetyl)amino]methyl]acetamide?
The canonical SMILES for N-[[acetamidomethyl(acetyl)amino]methyl]acetamide is CC(=O)NCN(CNC(C)=O)C(C)=O.
What is the InChIKey of N-[[acetamidomethyl(acetyl)amino]methyl]acetamide?
The InChIKey is HHYJASQALQKGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-6(12)9-4-11(8(3)14)5-10-7(2)13/h4-5H2,1-3H3,(H,9,12)(H,10,13).
What are the key properties of N-[[acetamidomethyl(acetyl)amino]methyl]acetamide?
N-[[acetamidomethyl(acetyl)amino]methyl]acetamide has a molecular weight of 201.23 g/mol, XLogP of -0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[acetamidomethyl(acetyl)amino]methyl]acetamide is sourced from PubChem (CID 23599706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).