N-(1-cyanopropyl)-3-methoxy-3-methylbutanamide

C10H18N2O2 — CID 103020104

IUPACN-(1-cyanopropyl)-3-methoxy-3-methylbutanamide
SMILESCCC(C#N)NC(=O)CC(C)(C)OC
InChIInChI=1S/C10H18N2O2/c1-5-8(7-11)12-9(13)6-10(2,3)14-4/h8H,5-6H2,1-4H3,(H,12,13)
InChIKeyUKVMGSRAABYMJQ-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.22
Rot. Bonds5

About N-(1-cyanopropyl)-3-methoxy-3-methylbutanamide

N-(1-cyanopropyl)-3-methoxy-3-methylbutanamide (PubChem CID 103020104) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-(1-cyanopropyl)-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(1-cyanopropyl)-3-methoxy-3-methylbutanamide
PubChem CID103020104
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-(1-cyanopropyl)-3-methoxy-3-methylbutanamide
SMILESCCC(C#N)NC(=O)CC(C)(C)OC
InChIInChI=1S/C10H18N2O2/c1-5-8(7-11)12-9(13)6-10(2,3)14-4/h8H,5-6H2,1-4H3,(H,12,13)
InChIKeyUKVMGSRAABYMJQ-UHFFFAOYSA-N
XLogP1.22
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropyl)-3-methoxy-3-methylbutanamide?
The IUPAC name of N-(1-cyanopropyl)-3-methoxy-3-methylbutanamide (CID 103020104) is N-(1-cyanopropyl)-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-(1-cyanopropyl)-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-(1-cyanopropyl)-3-methoxy-3-methylbutanamide is CCC(C#N)NC(=O)CC(C)(C)OC.
What is the InChIKey of N-(1-cyanopropyl)-3-methoxy-3-methylbutanamide?
The InChIKey is UKVMGSRAABYMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-5-8(7-11)12-9(13)6-10(2,3)14-4/h8H,5-6H2,1-4H3,(H,12,13).
What are the key properties of N-(1-cyanopropyl)-3-methoxy-3-methylbutanamide?
N-(1-cyanopropyl)-3-methoxy-3-methylbutanamide has a molecular weight of 198.27 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropyl)-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 103020104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).