N,N-dimethylacetamide;N-formyl-N-methylformamide

C7H14N2O3 — CID 54486876

IUPACN,N-dimethylacetamide;N-formyl-N-methylformamide
SMILESCC(=O)N(C)C.CN(C=O)C=O
InChIInChI=1S/C4H9NO.C3H5NO2/c1-4(6)5(2)3;1-4(2-5)3-6/h1-3H3;2-3H,1H3
InChIKeyXSXVVNXUDASPHW-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.67
Rot. Bonds2

About N,N-dimethylacetamide;N-formyl-N-methylformamide

N,N-dimethylacetamide;N-formyl-N-methylformamide (PubChem CID 54486876) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is N,N-dimethylacetamide;N-formyl-N-methylformamide.

Molecular Properties

Compound NameN,N-dimethylacetamide;N-formyl-N-methylformamide
PubChem CID54486876
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC NameN,N-dimethylacetamide;N-formyl-N-methylformamide
SMILESCC(=O)N(C)C.CN(C=O)C=O
InChIInChI=1S/C4H9NO.C3H5NO2/c1-4(6)5(2)3;1-4(2-5)3-6/h1-3H3;2-3H,1H3
InChIKeyXSXVVNXUDASPHW-UHFFFAOYSA-N
XLogP-0.67
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Methoxymethyl-N-methylacetamide
CID 542250
N,N-diformylacetamide
CID 8063338
N-formyl-N-methylacetamide
CID 14417887
N,N-dimethylformamide N,N-dimethylacetamide
CID 22628260
N-ethyl-N-formylacetamide
CID 12885790
N-acetyl-N-formylacetamide
CID 14417886
N,N-bis(methoxymethyl)acetamide
CID 20467157
N,N-dimethylacetamide;formaldehyde
CID 54040691
acetamide;N,N-dimethylformamide
CID 55290862
N-(dimethylaminooxymethyl)-N-methylacetamide
CID 59149461
N,N-dimethylacetamide;formamide
CID 88505567
sodium;N,N-dimethylacetamide;methanolate
CID 89389625

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylacetamide;N-formyl-N-methylformamide?
The IUPAC name of N,N-dimethylacetamide;N-formyl-N-methylformamide (CID 54486876) is N,N-dimethylacetamide;N-formyl-N-methylformamide.
What is the SMILES notation for N,N-dimethylacetamide;N-formyl-N-methylformamide?
The canonical SMILES for N,N-dimethylacetamide;N-formyl-N-methylformamide is CC(=O)N(C)C.CN(C=O)C=O.
What is the InChIKey of N,N-dimethylacetamide;N-formyl-N-methylformamide?
The InChIKey is XSXVVNXUDASPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C3H5NO2/c1-4(6)5(2)3;1-4(2-5)3-6/h1-3H3;2-3H,1H3.
What are the key properties of N,N-dimethylacetamide;N-formyl-N-methylformamide?
N,N-dimethylacetamide;N-formyl-N-methylformamide has a molecular weight of 174.20 g/mol, XLogP of -0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylacetamide;N-formyl-N-methylformamide is sourced from PubChem (CID 54486876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).