N-[(diacetamidomethylideneamino)methyl]acetamide

C8H14N4O3 — CID 20755819

IUPACN-[(diacetamidomethylideneamino)methyl]acetamide
SMILESCC(=O)NCN=C(NC(C)=O)NC(C)=O
InChIInChI=1S/C8H14N4O3/c1-5(13)9-4-10-8(11-6(2)14)12-7(3)15/h4H2,1-3H3,(H,9,13)(H2,10,11,12,14,15)
InChIKeyPFAGFENATDDTJA-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.29
Rot. Bonds2

About N-[(diacetamidomethylideneamino)methyl]acetamide

N-[(diacetamidomethylideneamino)methyl]acetamide (PubChem CID 20755819) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is N-[(diacetamidomethylideneamino)methyl]acetamide.

Molecular Properties

Compound NameN-[(diacetamidomethylideneamino)methyl]acetamide
PubChem CID20755819
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC NameN-[(diacetamidomethylideneamino)methyl]acetamide
SMILESCC(=O)NCN=C(NC(C)=O)NC(C)=O
InChIInChI=1S/C8H14N4O3/c1-5(13)9-4-10-8(11-6(2)14)12-7(3)15/h4H2,1-3H3,(H,9,13)(H2,10,11,12,14,15)
InChIKeyPFAGFENATDDTJA-UHFFFAOYSA-N
XLogP-1.29
TPSA99.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(diacetamidomethylideneamino)methyl]acetamide?
The IUPAC name of N-[(diacetamidomethylideneamino)methyl]acetamide (CID 20755819) is N-[(diacetamidomethylideneamino)methyl]acetamide.
What is the SMILES notation for N-[(diacetamidomethylideneamino)methyl]acetamide?
The canonical SMILES for N-[(diacetamidomethylideneamino)methyl]acetamide is CC(=O)NCN=C(NC(C)=O)NC(C)=O.
What is the InChIKey of N-[(diacetamidomethylideneamino)methyl]acetamide?
The InChIKey is PFAGFENATDDTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-5(13)9-4-10-8(11-6(2)14)12-7(3)15/h4H2,1-3H3,(H,9,13)(H2,10,11,12,14,15).
What are the key properties of N-[(diacetamidomethylideneamino)methyl]acetamide?
N-[(diacetamidomethylideneamino)methyl]acetamide has a molecular weight of 214.22 g/mol, XLogP of -1.29, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(diacetamidomethylideneamino)methyl]acetamide is sourced from PubChem (CID 20755819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).