N-(formamidomethyl)acetamide

C4H8N2O2 — CID 20683577

IUPACN-(formamidomethyl)acetamide
SMILESCC(=O)NCNC=O
InChIInChI=1S/C4H8N2O2/c1-4(8)6-2-5-3-7/h3H,2H2,1H3,(H,5,7)(H,6,8)
InChIKeyKHDCTEWPSHFRMJ-UHFFFAOYSA-N
MW116.12 g/mol
LogP-1.17
Rot. Bonds3

About N-(formamidomethyl)acetamide

N-(formamidomethyl)acetamide (PubChem CID 20683577) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is N-(formamidomethyl)acetamide.

Molecular Properties

Compound NameN-(formamidomethyl)acetamide
PubChem CID20683577
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC NameN-(formamidomethyl)acetamide
SMILESCC(=O)NCNC=O
InChIInChI=1S/C4H8N2O2/c1-4(8)6-2-5-3-7/h3H,2H2,1H3,(H,5,7)(H,6,8)
InChIKeyKHDCTEWPSHFRMJ-UHFFFAOYSA-N
XLogP-1.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-(formamidomethyl)acetamide?
The IUPAC name of N-(formamidomethyl)acetamide (CID 20683577) is N-(formamidomethyl)acetamide.
What is the SMILES notation for N-(formamidomethyl)acetamide?
The canonical SMILES for N-(formamidomethyl)acetamide is CC(=O)NCNC=O.
What is the InChIKey of N-(formamidomethyl)acetamide?
The InChIKey is KHDCTEWPSHFRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-4(8)6-2-5-3-7/h3H,2H2,1H3,(H,5,7)(H,6,8).
What are the key properties of N-(formamidomethyl)acetamide?
N-(formamidomethyl)acetamide has a molecular weight of 116.12 g/mol, XLogP of -1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(formamidomethyl)acetamide is sourced from PubChem (CID 20683577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).