N-(cyanomethyl)-4-methoxybutanamide

C7H12N2O2 — CID 78989538

IUPACN-(cyanomethyl)-4-methoxybutanamide
SMILESCOCCCC(=O)NCC#N
InChIInChI=1S/C7H12N2O2/c1-11-6-2-3-7(10)9-5-4-8/h2-3,5-6H2,1H3,(H,9,10)
InChIKeyVENWZBBMMFUHBY-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.05
Rot. Bonds5

About N-(cyanomethyl)-4-methoxybutanamide

N-(cyanomethyl)-4-methoxybutanamide (PubChem CID 78989538) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is N-(cyanomethyl)-4-methoxybutanamide.

Molecular Properties

Compound NameN-(cyanomethyl)-4-methoxybutanamide
PubChem CID78989538
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC NameN-(cyanomethyl)-4-methoxybutanamide
SMILESCOCCCC(=O)NCC#N
InChIInChI=1S/C7H12N2O2/c1-11-6-2-3-7(10)9-5-4-8/h2-3,5-6H2,1H3,(H,9,10)
InChIKeyVENWZBBMMFUHBY-UHFFFAOYSA-N
XLogP0.05
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.05
H-Bond Donors ≤ 51
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)-2-(3-methoxypropylamino)acetamide
CID 43153290
N-(cyanomethyl)pentanamide;hydrochloride
CID 141008965
N-(cyanomethyl)-4-(methylamino)butanamide
CID 61254467
methyl 2-(4-methoxybutanoylamino)acetate
CID 112729446
N-(cyanomethyl)decanamide
CID 62399737
7-amino-N-(cyanomethyl)heptanamide
CID 61254077
5-methoxy-N-(2-methoxyethyl)pentanamide
CID 58281484
4-methoxy-N-pent-3-ynylbutanamide
CID 115977312
4-(cyanomethylamino)-4-oxobutanoic acid
CID 23023570
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
4-bromobutanoic acid;4-bromo-N-(cyanomethyl)butanamide
CID 87406570
N-(3-amino-2,2-dimethylpropyl)-4-methoxybutanamide
CID 115365695

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-4-methoxybutanamide?
The IUPAC name of N-(cyanomethyl)-4-methoxybutanamide (CID 78989538) is N-(cyanomethyl)-4-methoxybutanamide.
What is the SMILES notation for N-(cyanomethyl)-4-methoxybutanamide?
The canonical SMILES for N-(cyanomethyl)-4-methoxybutanamide is COCCCC(=O)NCC#N.
What is the InChIKey of N-(cyanomethyl)-4-methoxybutanamide?
The InChIKey is VENWZBBMMFUHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-11-6-2-3-7(10)9-5-4-8/h2-3,5-6H2,1H3,(H,9,10).
What are the key properties of N-(cyanomethyl)-4-methoxybutanamide?
N-(cyanomethyl)-4-methoxybutanamide has a molecular weight of 156.19 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-4-methoxybutanamide is sourced from PubChem (CID 78989538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).