3-[(5-formylfuran-2-yl)-methylamino]-N,2-dimethylpropanamide

C11H16N2O3 — CID 106916131

IUPAC3-[(5-formylfuran-2-yl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1ccc(C=O)o1
InChIInChI=1S/C11H16N2O3/c1-8(11(15)12-2)6-13(3)10-5-4-9(7-14)16-10/h4-5,7-8H,6H2,1-3H3,(H,12,15)
InChIKeyPDOQJIKXVLMXSW-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.91
Rot. Bonds5

About 3-[(5-formylfuran-2-yl)-methylamino]-N,2-dimethylpropanamide

3-[(5-formylfuran-2-yl)-methylamino]-N,2-dimethylpropanamide (PubChem CID 106916131) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-[(5-formylfuran-2-yl)-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(5-formylfuran-2-yl)-methylamino]-N,2-dimethylpropanamide
PubChem CID106916131
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-[(5-formylfuran-2-yl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1ccc(C=O)o1
InChIInChI=1S/C11H16N2O3/c1-8(11(15)12-2)6-13(3)10-5-4-9(7-14)16-10/h4-5,7-8H,6H2,1-3H3,(H,12,15)
InChIKeyPDOQJIKXVLMXSW-UHFFFAOYSA-N
XLogP0.91
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-N-methylanilino)-N,2-dimethylpropanamide
CID 106914261
5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]furan-2-carbaldehyde
CID 55040007
5-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]furan-2-carboxylic acid
CID 103932710
2-methyl-3-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid
CID 106916265
3-[(6-cyano-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 113248913
3-[2-(1-hydroxypropyl)-N-methylanilino]-N,2-dimethylpropanamide
CID 106916440
N,2-dimethyl-3-[methyl-[6-(methylamino)pyrazin-2-yl]amino]propanamide
CID 106918612
3-amino-N,2-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-3-phenylpropanamide
CID 103812839
3-[(2-chloro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 103757167
3-[3-(aminomethyl)-N-methylanilino]-N,2-dimethylpropanamide
CID 106914482
3-(4-amino-2-iodo-N-methylanilino)-N,2-dimethylpropanamide
CID 106914273
3-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]-N,2-dimethylpropanamide
CID 106914720

Frequently Asked Questions

What is the IUPAC name of 3-[(5-formylfuran-2-yl)-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[(5-formylfuran-2-yl)-methylamino]-N,2-dimethylpropanamide (CID 106916131) is 3-[(5-formylfuran-2-yl)-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[(5-formylfuran-2-yl)-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[(5-formylfuran-2-yl)-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)c1ccc(C=O)o1.
What is the InChIKey of 3-[(5-formylfuran-2-yl)-methylamino]-N,2-dimethylpropanamide?
The InChIKey is PDOQJIKXVLMXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8(11(15)12-2)6-13(3)10-5-4-9(7-14)16-10/h4-5,7-8H,6H2,1-3H3,(H,12,15).
What are the key properties of 3-[(5-formylfuran-2-yl)-methylamino]-N,2-dimethylpropanamide?
3-[(5-formylfuran-2-yl)-methylamino]-N,2-dimethylpropanamide has a molecular weight of 224.26 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-formylfuran-2-yl)-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106916131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).