N-(cyanomethyl)-N-methyl-3-propoxypropanamide

C9H16N2O2 — CID 62716829

IUPACN-(cyanomethyl)-N-methyl-3-propoxypropanamide
SMILESCCCOCCC(=O)N(C)CC#N
InChIInChI=1S/C9H16N2O2/c1-3-7-13-8-4-9(12)11(2)6-5-10/h3-4,6-8H2,1-2H3
InChIKeyVXWHJSYSOJCSTN-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.79
Rot. Bonds6

About N-(cyanomethyl)-N-methyl-3-propoxypropanamide

N-(cyanomethyl)-N-methyl-3-propoxypropanamide (PubChem CID 62716829) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-(cyanomethyl)-N-methyl-3-propoxypropanamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-methyl-3-propoxypropanamide
PubChem CID62716829
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-(cyanomethyl)-N-methyl-3-propoxypropanamide
SMILESCCCOCCC(=O)N(C)CC#N
InChIInChI=1S/C9H16N2O2/c1-3-7-13-8-4-9(12)11(2)6-5-10/h3-4,6-8H2,1-2H3
InChIKeyVXWHJSYSOJCSTN-UHFFFAOYSA-N
XLogP0.79
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-3-methoxy-N-methylpropanamide
CID 62590044
N-ethyl-N-methyl-3-propoxypropanamide
CID 87235290
N-(cyanomethyl)-4-ethoxy-N-methylbutanamide
CID 78915918
N-ethyl-3-hexoxy-N-methylpropanamide
CID 87235746
3-(2-aminoethoxy)-N-ethyl-N-methylpropanamide
CID 162436526
N-(2-cyanoethyl)-N-methyl-3-prop-2-enoxypropanamide
CID 43289803
N'-(cyanomethyl)-N'-methylpropanediamide
CID 89395698
3-[2-[2-[2-[3-(dimethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-N,N-dimethylpropanamide
CID 71364213
N-(2-cyanoethyl)-3-methoxy-N-methylpropanamide
CID 43289311
N-(4-hydroxyphenyl)-N-methyl-3-propoxypropanamide
CID 62716161
N-(2-aminoethyl)-N-ethyl-3-propoxypropanamide
CID 62688574
N,N-dimethyl-3-octadecoxypropanamide
CID 155355336

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-methyl-3-propoxypropanamide?
The IUPAC name of N-(cyanomethyl)-N-methyl-3-propoxypropanamide (CID 62716829) is N-(cyanomethyl)-N-methyl-3-propoxypropanamide.
What is the SMILES notation for N-(cyanomethyl)-N-methyl-3-propoxypropanamide?
The canonical SMILES for N-(cyanomethyl)-N-methyl-3-propoxypropanamide is CCCOCCC(=O)N(C)CC#N.
What is the InChIKey of N-(cyanomethyl)-N-methyl-3-propoxypropanamide?
The InChIKey is VXWHJSYSOJCSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-7-13-8-4-9(12)11(2)6-5-10/h3-4,6-8H2,1-2H3.
What are the key properties of N-(cyanomethyl)-N-methyl-3-propoxypropanamide?
N-(cyanomethyl)-N-methyl-3-propoxypropanamide has a molecular weight of 184.24 g/mol, XLogP of 0.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-methyl-3-propoxypropanamide is sourced from PubChem (CID 62716829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).