N-(cyanomethyl)-3-methoxy-3-methylbutanamide

C8H14N2O2 — CID 103020097

IUPACN-(cyanomethyl)-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)NCC#N
InChIInChI=1S/C8H14N2O2/c1-8(2,12-3)6-7(11)10-5-4-9/h5-6H2,1-3H3,(H,10,11)
InChIKeyZWKFCTBEGGZXOT-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.44
Rot. Bonds4

About N-(cyanomethyl)-3-methoxy-3-methylbutanamide

N-(cyanomethyl)-3-methoxy-3-methylbutanamide (PubChem CID 103020097) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-(cyanomethyl)-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(cyanomethyl)-3-methoxy-3-methylbutanamide
PubChem CID103020097
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN-(cyanomethyl)-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)NCC#N
InChIInChI=1S/C8H14N2O2/c1-8(2,12-3)6-7(11)10-5-4-9/h5-6H2,1-3H3,(H,10,11)
InChIKeyZWKFCTBEGGZXOT-UHFFFAOYSA-N
XLogP0.44
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(cyanomethyl)-3-methoxy-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(cyanomethylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62933397
N-(1-cyanoethyl)-3-methoxy-3-methylbutanamide
CID 103020102
3-methoxy-3-methyl-N-pent-3-ynylbutanamide
CID 103022333
N,3-dimethoxy-3-methylbutanamide
CID 103021007
3-methoxy-3-methyl-N-[2-(propylamino)ethyl]butanamide
CID 103021411
3-methoxy-3-methyl-N-propan-2-ylbutanamide
CID 103020990
N-(6-aminohexyl)-3-methoxy-3-methylbutanamide
CID 107843909
N-(2-amino-3-ethylpentyl)-3-methoxy-3-methylbutanamide
CID 106286145
N-(2-amino-4,4-dimethylpentyl)-3-methoxy-3-methylbutanamide
CID 107158484
methyl 6-[(3-methoxy-3-methylbutanoyl)amino]hexanoate
CID 103021720
N-(cyanomethyl)-3,4,4-trimethylpentanamide
CID 63820858
2-[[(3-methoxy-3-methylbutanoyl)amino]methyl]-4-methylpentanoic acid
CID 103019000

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-3-methoxy-3-methylbutanamide?
The IUPAC name of N-(cyanomethyl)-3-methoxy-3-methylbutanamide (CID 103020097) is N-(cyanomethyl)-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-(cyanomethyl)-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-(cyanomethyl)-3-methoxy-3-methylbutanamide is COC(C)(C)CC(=O)NCC#N.
What is the InChIKey of N-(cyanomethyl)-3-methoxy-3-methylbutanamide?
The InChIKey is ZWKFCTBEGGZXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-8(2,12-3)6-7(11)10-5-4-9/h5-6H2,1-3H3,(H,10,11).
What are the key properties of N-(cyanomethyl)-3-methoxy-3-methylbutanamide?
N-(cyanomethyl)-3-methoxy-3-methylbutanamide has a molecular weight of 170.21 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 103020097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).