N,N-diformamidopropanamide

C5H9N3O3 — CID 137460075

IUPACN,N-diformamidopropanamide
SMILESCCC(=O)N(NC=O)NC=O
InChIInChI=1S/C5H9N3O3/c1-2-5(11)8(6-3-9)7-4-10/h3-4H,2H2,1H3,(H,6,9)(H,7,10)
InChIKeyQJMOKZSOSMEIOF-UHFFFAOYSA-N
MW159.15 g/mol
LogP-1.45
Rot. Bonds5

About N,N-diformamidopropanamide

N,N-diformamidopropanamide (PubChem CID 137460075) has the molecular formula C5H9N3O3 and a molecular weight of 159.15 g/mol. Its IUPAC name is N,N-diformamidopropanamide.

Molecular Properties

Compound NameN,N-diformamidopropanamide
PubChem CID137460075
Molecular FormulaC5H9N3O3
Molecular Weight159.15 g/mol
Exact Mass159.06
IUPAC NameN,N-diformamidopropanamide
SMILESCCC(=O)N(NC=O)NC=O
InChIInChI=1S/C5H9N3O3/c1-2-5(11)8(6-3-9)7-4-10/h3-4H,2H2,1H3,(H,6,9)(H,7,10)
InChIKeyQJMOKZSOSMEIOF-UHFFFAOYSA-N
XLogP-1.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diformamidopropanamide?
The IUPAC name of N,N-diformamidopropanamide (CID 137460075) is N,N-diformamidopropanamide.
What is the SMILES notation for N,N-diformamidopropanamide?
The canonical SMILES for N,N-diformamidopropanamide is CCC(=O)N(NC=O)NC=O.
What is the InChIKey of N,N-diformamidopropanamide?
The InChIKey is QJMOKZSOSMEIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O3/c1-2-5(11)8(6-3-9)7-4-10/h3-4H,2H2,1H3,(H,6,9)(H,7,10).
What are the key properties of N,N-diformamidopropanamide?
N,N-diformamidopropanamide has a molecular weight of 159.15 g/mol, XLogP of -1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diformamidopropanamide is sourced from PubChem (CID 137460075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).