acetic acid;N,N-diethylformamide

C7H15NO3 — CID 172752961

IUPACacetic acid;N,N-diethylformamide
SMILESCC(=O)O.CCN(C=O)CC
InChIInChI=1S/C5H11NO.C2H4O2/c1-3-6(4-2)5-7;1-2(3)4/h5H,3-4H2,1-2H3;1H3,(H,3,4)
InChIKeyKPYOCRXJNHVBPH-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.58
Rot. Bonds3

About acetic acid;N,N-diethylformamide

acetic acid;N,N-diethylformamide (PubChem CID 172752961) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is acetic acid;N,N-diethylformamide.

Molecular Properties

Compound Nameacetic acid;N,N-diethylformamide
PubChem CID172752961
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Nameacetic acid;N,N-diethylformamide
SMILESCC(=O)O.CCN(C=O)CC
InChIInChI=1S/C5H11NO.C2H4O2/c1-3-6(4-2)5-7;1-2(3)4/h5H,3-4H2,1-2H3;1H3,(H,3,4)
InChIKeyKPYOCRXJNHVBPH-UHFFFAOYSA-N
XLogP0.58
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethylformamide;N-methylacetamide
CID 88516176
cadmium;N,N-diethylformamide
CID 157494696
acetic acid;N,N-dimethylformamide;ethanol
CID 88751459
3-[ethyl(formyl)amino]-2-methylpropanoic acid
CID 54129330
2-[ethyl(formyl)amino]acetamide
CID 103104201
acetic acid;propanal;hydrate
CID 160743945
acetic acid;N,N-diethylethanamine;dihydrochloride
CID 173065244
2-[formyl(2-oxopropyl)amino]acetic acid
CID 121285927
acetic acid;N,N-diethylacetamide
CID 174447974
N,N-dibenzylformamide;N,N-diethylformamide;methane
CID 160532713
acetic acid;azane;propane
CID 173127482
acetic acid;formic acid;hydrogen peroxide
CID 172718921

Frequently Asked Questions

What is the IUPAC name of acetic acid;N,N-diethylformamide?
The IUPAC name of acetic acid;N,N-diethylformamide (CID 172752961) is acetic acid;N,N-diethylformamide.
What is the SMILES notation for acetic acid;N,N-diethylformamide?
The canonical SMILES for acetic acid;N,N-diethylformamide is CC(=O)O.CCN(C=O)CC.
What is the InChIKey of acetic acid;N,N-diethylformamide?
The InChIKey is KPYOCRXJNHVBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C2H4O2/c1-3-6(4-2)5-7;1-2(3)4/h5H,3-4H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;N,N-diethylformamide?
acetic acid;N,N-diethylformamide has a molecular weight of 161.20 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N,N-diethylformamide is sourced from PubChem (CID 172752961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).