4-[formyl(methyl)amino]-N-methyl-5-oxopentanamide

C8H14N2O3 — CID 156711657

IUPAC4-[formyl(methyl)amino]-N-methyl-5-oxopentanamide
SMILESCNC(=O)CCC(C=O)N(C)C=O
InChIInChI=1S/C8H14N2O3/c1-9-8(13)4-3-7(5-11)10(2)6-12/h5-7H,3-4H2,1-2H3,(H,9,13)
InChIKeyZFMFCSZNNTWQCY-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.83
Rot. Bonds6

About 4-[formyl(methyl)amino]-N-methyl-5-oxopentanamide

4-[formyl(methyl)amino]-N-methyl-5-oxopentanamide (PubChem CID 156711657) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-[formyl(methyl)amino]-N-methyl-5-oxopentanamide.

Molecular Properties

Compound Name4-[formyl(methyl)amino]-N-methyl-5-oxopentanamide
PubChem CID156711657
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name4-[formyl(methyl)amino]-N-methyl-5-oxopentanamide
SMILESCNC(=O)CCC(C=O)N(C)C=O
InChIInChI=1S/C8H14N2O3/c1-9-8(13)4-3-7(5-11)10(2)6-12/h5-7H,3-4H2,1-2H3,(H,9,13)
InChIKeyZFMFCSZNNTWQCY-UHFFFAOYSA-N
XLogP-0.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[formyl(methyl)amino]-N-methyl-5-oxopentanamide?
The IUPAC name of 4-[formyl(methyl)amino]-N-methyl-5-oxopentanamide (CID 156711657) is 4-[formyl(methyl)amino]-N-methyl-5-oxopentanamide.
What is the SMILES notation for 4-[formyl(methyl)amino]-N-methyl-5-oxopentanamide?
The canonical SMILES for 4-[formyl(methyl)amino]-N-methyl-5-oxopentanamide is CNC(=O)CCC(C=O)N(C)C=O.
What is the InChIKey of 4-[formyl(methyl)amino]-N-methyl-5-oxopentanamide?
The InChIKey is ZFMFCSZNNTWQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-9-8(13)4-3-7(5-11)10(2)6-12/h5-7H,3-4H2,1-2H3,(H,9,13).
What are the key properties of 4-[formyl(methyl)amino]-N-methyl-5-oxopentanamide?
4-[formyl(methyl)amino]-N-methyl-5-oxopentanamide has a molecular weight of 186.21 g/mol, XLogP of -0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[formyl(methyl)amino]-N-methyl-5-oxopentanamide is sourced from PubChem (CID 156711657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).