3-[formyl(methyl)amino]-N,2-dimethylpropanamide

C7H14N2O2 — CID 106918332

IUPAC3-[formyl(methyl)amino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)C=O
InChIInChI=1S/C7H14N2O2/c1-6(7(11)8-2)4-9(3)5-10/h5-6H,4H2,1-3H3,(H,8,11)
InChIKeyNLJAEKKWBKCGFD-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.54
Rot. Bonds4

About 3-[formyl(methyl)amino]-N,2-dimethylpropanamide

3-[formyl(methyl)amino]-N,2-dimethylpropanamide (PubChem CID 106918332) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-[formyl(methyl)amino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[formyl(methyl)amino]-N,2-dimethylpropanamide
PubChem CID106918332
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name3-[formyl(methyl)amino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)C=O
InChIInChI=1S/C7H14N2O2/c1-6(7(11)8-2)4-9(3)5-10/h5-6H,4H2,1-3H3,(H,8,11)
InChIKeyNLJAEKKWBKCGFD-UHFFFAOYSA-N
XLogP-0.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.54
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 3-[formyl(methyl)amino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[formyl(methyl)amino]-N,2-dimethylpropanamide (CID 106918332) is 3-[formyl(methyl)amino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[formyl(methyl)amino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[formyl(methyl)amino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)C=O.
What is the InChIKey of 3-[formyl(methyl)amino]-N,2-dimethylpropanamide?
The InChIKey is NLJAEKKWBKCGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-6(7(11)8-2)4-9(3)5-10/h5-6H,4H2,1-3H3,(H,8,11).
What are the key properties of 3-[formyl(methyl)amino]-N,2-dimethylpropanamide?
3-[formyl(methyl)amino]-N,2-dimethylpropanamide has a molecular weight of 158.20 g/mol, XLogP of -0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[formyl(methyl)amino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106918332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).