N-(2-cyanoethyl)-N-cyclopropyl-3-methoxypropanamide

C10H16N2O2 — CID 62590042

IUPACN-(2-cyanoethyl)-N-cyclopropyl-3-methoxypropanamide
SMILESCOCCC(=O)N(CCC#N)C1CC1
InChIInChI=1S/C10H16N2O2/c1-14-8-5-10(13)12(7-2-6-11)9-3-4-9/h9H,2-5,7-8H2,1H3
InChIKeyAULOAWCCOOZPFM-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.93
Rot. Bonds6

About N-(2-cyanoethyl)-N-cyclopropyl-3-methoxypropanamide

N-(2-cyanoethyl)-N-cyclopropyl-3-methoxypropanamide (PubChem CID 62590042) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropyl-3-methoxypropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropyl-3-methoxypropanamide
PubChem CID62590042
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-(2-cyanoethyl)-N-cyclopropyl-3-methoxypropanamide
SMILESCOCCC(=O)N(CCC#N)C1CC1
InChIInChI=1S/C10H16N2O2/c1-14-8-5-10(13)12(7-2-6-11)9-3-4-9/h9H,2-5,7-8H2,1H3
InChIKeyAULOAWCCOOZPFM-UHFFFAOYSA-N
XLogP0.93
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-3-methoxypropanamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-3-methoxypropanamide (CID 62590042) is N-(2-cyanoethyl)-N-cyclopropyl-3-methoxypropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropyl-3-methoxypropanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropyl-3-methoxypropanamide is COCCC(=O)N(CCC#N)C1CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropyl-3-methoxypropanamide?
The InChIKey is AULOAWCCOOZPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-14-8-5-10(13)12(7-2-6-11)9-3-4-9/h9H,2-5,7-8H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-cyclopropyl-3-methoxypropanamide?
N-(2-cyanoethyl)-N-cyclopropyl-3-methoxypropanamide has a molecular weight of 196.25 g/mol, XLogP of 0.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-cyclopropyl-3-methoxypropanamide is sourced from PubChem (CID 62590042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).