2-cyano-N-(3-methoxypropyl)-N-methylbutanamide

C10H18N2O2 — CID 63010232

IUPAC2-cyano-N-(3-methoxypropyl)-N-methylbutanamide
SMILESCCC(C#N)C(=O)N(C)CCCOC
InChIInChI=1S/C10H18N2O2/c1-4-9(8-11)10(13)12(2)6-5-7-14-3/h9H,4-7H2,1-3H3
InChIKeyJVUOGDZTDYOCJM-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.03
Rot. Bonds6

About 2-cyano-N-(3-methoxypropyl)-N-methylbutanamide

2-cyano-N-(3-methoxypropyl)-N-methylbutanamide (PubChem CID 63010232) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-cyano-N-(3-methoxypropyl)-N-methylbutanamide.

Molecular Properties

Compound Name2-cyano-N-(3-methoxypropyl)-N-methylbutanamide
PubChem CID63010232
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-cyano-N-(3-methoxypropyl)-N-methylbutanamide
SMILESCCC(C#N)C(=O)N(C)CCCOC
InChIInChI=1S/C10H18N2O2/c1-4-9(8-11)10(13)12(2)6-5-7-14-3/h9H,4-7H2,1-3H3
InChIKeyJVUOGDZTDYOCJM-UHFFFAOYSA-N
XLogP1.03
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-methoxypropyl)-N-methylbutanamide?
The IUPAC name of 2-cyano-N-(3-methoxypropyl)-N-methylbutanamide (CID 63010232) is 2-cyano-N-(3-methoxypropyl)-N-methylbutanamide.
What is the SMILES notation for 2-cyano-N-(3-methoxypropyl)-N-methylbutanamide?
The canonical SMILES for 2-cyano-N-(3-methoxypropyl)-N-methylbutanamide is CCC(C#N)C(=O)N(C)CCCOC.
What is the InChIKey of 2-cyano-N-(3-methoxypropyl)-N-methylbutanamide?
The InChIKey is JVUOGDZTDYOCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-9(8-11)10(13)12(2)6-5-7-14-3/h9H,4-7H2,1-3H3.
What are the key properties of 2-cyano-N-(3-methoxypropyl)-N-methylbutanamide?
2-cyano-N-(3-methoxypropyl)-N-methylbutanamide has a molecular weight of 198.27 g/mol, XLogP of 1.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-methoxypropyl)-N-methylbutanamide is sourced from PubChem (CID 63010232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).