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

C10H18N2O2 — CID 103020145

IUPACN-(cyanomethyl)-N-ethyl-3-methoxy-3-methylbutanamide
SMILESCCN(CC#N)C(=O)CC(C)(C)OC
InChIInChI=1S/C10H18N2O2/c1-5-12(7-6-11)9(13)8-10(2,3)14-4/h5,7-8H2,1-4H3
InChIKeyNQNFQQKHQIGCGM-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.17
Rot. Bonds5

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

N-(cyanomethyl)-N-ethyl-3-methoxy-3-methylbutanamide (PubChem CID 103020145) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-(cyanomethyl)-N-ethyl-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-ethyl-3-methoxy-3-methylbutanamide
PubChem CID103020145
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-(cyanomethyl)-N-ethyl-3-methoxy-3-methylbutanamide
SMILESCCN(CC#N)C(=O)CC(C)(C)OC
InChIInChI=1S/C10H18N2O2/c1-5-12(7-6-11)9(13)8-10(2,3)14-4/h5,7-8H2,1-4H3
InChIKeyNQNFQQKHQIGCGM-UHFFFAOYSA-N
XLogP1.17
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-ethyl-3-methoxy-3-methylbutanamide?
The IUPAC name of N-(cyanomethyl)-N-ethyl-3-methoxy-3-methylbutanamide (CID 103020145) is N-(cyanomethyl)-N-ethyl-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-(cyanomethyl)-N-ethyl-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-(cyanomethyl)-N-ethyl-3-methoxy-3-methylbutanamide is CCN(CC#N)C(=O)CC(C)(C)OC.
What is the InChIKey of N-(cyanomethyl)-N-ethyl-3-methoxy-3-methylbutanamide?
The InChIKey is NQNFQQKHQIGCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-5-12(7-6-11)9(13)8-10(2,3)14-4/h5,7-8H2,1-4H3.
What are the key properties of N-(cyanomethyl)-N-ethyl-3-methoxy-3-methylbutanamide?
N-(cyanomethyl)-N-ethyl-3-methoxy-3-methylbutanamide has a molecular weight of 198.27 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-ethyl-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 103020145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).