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

C7H15N3O2 — CID 21337500

IUPACN-[[acetyl(methylaminomethyl)amino]methyl]acetamide
SMILESCNCN(CNC(C)=O)C(C)=O
InChIInChI=1S/C7H15N3O2/c1-6(11)9-5-10(4-8-3)7(2)12/h8H,4-5H2,1-3H3,(H,9,11)
InChIKeyUUUAGXNBFOXJCJ-UHFFFAOYSA-N
MW173.22 g/mol
LogP-0.89
Rot. Bonds4

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

N-[[acetyl(methylaminomethyl)amino]methyl]acetamide (PubChem CID 21337500) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is N-[[acetyl(methylaminomethyl)amino]methyl]acetamide.

Molecular Properties

Compound NameN-[[acetyl(methylaminomethyl)amino]methyl]acetamide
PubChem CID21337500
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC NameN-[[acetyl(methylaminomethyl)amino]methyl]acetamide
SMILESCNCN(CNC(C)=O)C(C)=O
InChIInChI=1S/C7H15N3O2/c1-6(11)9-5-10(4-8-3)7(2)12/h8H,4-5H2,1-3H3,(H,9,11)
InChIKeyUUUAGXNBFOXJCJ-UHFFFAOYSA-N
XLogP-0.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.89
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-[[acetyl(methylaminomethyl)amino]methyl]acetamide?
The IUPAC name of N-[[acetyl(methylaminomethyl)amino]methyl]acetamide (CID 21337500) is N-[[acetyl(methylaminomethyl)amino]methyl]acetamide.
What is the SMILES notation for N-[[acetyl(methylaminomethyl)amino]methyl]acetamide?
The canonical SMILES for N-[[acetyl(methylaminomethyl)amino]methyl]acetamide is CNCN(CNC(C)=O)C(C)=O.
What is the InChIKey of N-[[acetyl(methylaminomethyl)amino]methyl]acetamide?
The InChIKey is UUUAGXNBFOXJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-6(11)9-5-10(4-8-3)7(2)12/h8H,4-5H2,1-3H3,(H,9,11).
What are the key properties of N-[[acetyl(methylaminomethyl)amino]methyl]acetamide?
N-[[acetyl(methylaminomethyl)amino]methyl]acetamide has a molecular weight of 173.22 g/mol, XLogP of -0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[acetyl(methylaminomethyl)amino]methyl]acetamide is sourced from PubChem (CID 21337500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).