acetamide;N,N-diethylformamide

C7H16N2O2 — CID 87972802

IUPACacetamide;N,N-diethylformamide
SMILESCC(N)=O.CCN(C=O)CC
InChIInChI=1S/C5H11NO.C2H5NO/c1-3-6(4-2)5-7;1-2(3)4/h5H,3-4H2,1-2H3;1H3,(H2,3,4)
InChIKeyPVWHDNFTAHUSPW-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.02
Rot. Bonds3

About acetamide;N,N-diethylformamide

acetamide;N,N-diethylformamide (PubChem CID 87972802) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is acetamide;N,N-diethylformamide.

Molecular Properties

Compound Nameacetamide;N,N-diethylformamide
PubChem CID87972802
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Nameacetamide;N,N-diethylformamide
SMILESCC(N)=O.CCN(C=O)CC
InChIInChI=1S/C5H11NO.C2H5NO/c1-3-6(4-2)5-7;1-2(3)4/h5H,3-4H2,1-2H3;1H3,(H2,3,4)
InChIKeyPVWHDNFTAHUSPW-UHFFFAOYSA-N
XLogP-0.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetamide;N,N-diethylformamide?
The IUPAC name of acetamide;N,N-diethylformamide (CID 87972802) is acetamide;N,N-diethylformamide.
What is the SMILES notation for acetamide;N,N-diethylformamide?
The canonical SMILES for acetamide;N,N-diethylformamide is CC(N)=O.CCN(C=O)CC.
What is the InChIKey of acetamide;N,N-diethylformamide?
The InChIKey is PVWHDNFTAHUSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C2H5NO/c1-3-6(4-2)5-7;1-2(3)4/h5H,3-4H2,1-2H3;1H3,(H2,3,4).
What are the key properties of acetamide;N,N-diethylformamide?
acetamide;N,N-diethylformamide has a molecular weight of 160.22 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;N,N-diethylformamide is sourced from PubChem (CID 87972802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).