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

C7H13N3O3 — CID 20588189

IUPACN-[[acetamidomethyl(formyl)amino]methyl]acetamide
SMILESCC(=O)NCN(C=O)CNC(C)=O
InChIInChI=1S/C7H13N3O3/c1-6(12)8-3-10(5-11)4-9-7(2)13/h5H,3-4H2,1-2H3,(H,8,12)(H,9,13)
InChIKeyIKOCCRRIMDLIHW-UHFFFAOYSA-N
MW187.20 g/mol
LogP-1.37
Rot. Bonds5

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

N-[[acetamidomethyl(formyl)amino]methyl]acetamide (PubChem CID 20588189) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is N-[[acetamidomethyl(formyl)amino]methyl]acetamide.

Molecular Properties

Compound NameN-[[acetamidomethyl(formyl)amino]methyl]acetamide
PubChem CID20588189
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC NameN-[[acetamidomethyl(formyl)amino]methyl]acetamide
SMILESCC(=O)NCN(C=O)CNC(C)=O
InChIInChI=1S/C7H13N3O3/c1-6(12)8-3-10(5-11)4-9-7(2)13/h5H,3-4H2,1-2H3,(H,8,12)(H,9,13)
InChIKeyIKOCCRRIMDLIHW-UHFFFAOYSA-N
XLogP-1.37
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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(formyl)amino]methyl]acetamide?
The IUPAC name of N-[[acetamidomethyl(formyl)amino]methyl]acetamide (CID 20588189) is N-[[acetamidomethyl(formyl)amino]methyl]acetamide.
What is the SMILES notation for N-[[acetamidomethyl(formyl)amino]methyl]acetamide?
The canonical SMILES for N-[[acetamidomethyl(formyl)amino]methyl]acetamide is CC(=O)NCN(C=O)CNC(C)=O.
What is the InChIKey of N-[[acetamidomethyl(formyl)amino]methyl]acetamide?
The InChIKey is IKOCCRRIMDLIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3/c1-6(12)8-3-10(5-11)4-9-7(2)13/h5H,3-4H2,1-2H3,(H,8,12)(H,9,13).
What are the key properties of N-[[acetamidomethyl(formyl)amino]methyl]acetamide?
N-[[acetamidomethyl(formyl)amino]methyl]acetamide has a molecular weight of 187.20 g/mol, XLogP of -1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[acetamidomethyl(formyl)amino]methyl]acetamide is sourced from PubChem (CID 20588189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).