N-(2-cyanopropyl)-N-ethyl-3-methoxy-3-methylbutanamide

C12H22N2O2 — CID 103020134

IUPACN-(2-cyanopropyl)-N-ethyl-3-methoxy-3-methylbutanamide
SMILESCCN(CC(C)C#N)C(=O)CC(C)(C)OC
InChIInChI=1S/C12H22N2O2/c1-6-14(9-10(2)8-13)11(15)7-12(3,4)16-5/h10H,6-7,9H2,1-5H3
InChIKeyMJWGIGAAVVLEQC-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.81
Rot. Bonds6

About N-(2-cyanopropyl)-N-ethyl-3-methoxy-3-methylbutanamide

N-(2-cyanopropyl)-N-ethyl-3-methoxy-3-methylbutanamide (PubChem CID 103020134) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyl-3-methoxy-3-methylbutanamide
PubChem CID103020134
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-(2-cyanopropyl)-N-ethyl-3-methoxy-3-methylbutanamide
SMILESCCN(CC(C)C#N)C(=O)CC(C)(C)OC
InChIInChI=1S/C12H22N2O2/c1-6-14(9-10(2)8-13)11(15)7-12(3,4)16-5/h10H,6-7,9H2,1-5H3
InChIKeyMJWGIGAAVVLEQC-UHFFFAOYSA-N
XLogP1.81
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyl-3-methoxy-3-methylbutanamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyl-3-methoxy-3-methylbutanamide (CID 103020134) is N-(2-cyanopropyl)-N-ethyl-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyl-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-3-methoxy-3-methylbutanamide is CCN(CC(C)C#N)C(=O)CC(C)(C)OC.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyl-3-methoxy-3-methylbutanamide?
The InChIKey is MJWGIGAAVVLEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-6-14(9-10(2)8-13)11(15)7-12(3,4)16-5/h10H,6-7,9H2,1-5H3.
What are the key properties of N-(2-cyanopropyl)-N-ethyl-3-methoxy-3-methylbutanamide?
N-(2-cyanopropyl)-N-ethyl-3-methoxy-3-methylbutanamide has a molecular weight of 226.32 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyl-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 103020134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).