N-[1-(3,4-dihydropyridin-6-yl)ethyl]-2-methylpropanamide

C11H18N2O — CID 137490627

IUPACN-[1-(3,4-dihydropyridin-6-yl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(C)C1=CCCC=N1
InChIInChI=1S/C11H18N2O/c1-8(2)11(14)13-9(3)10-6-4-5-7-12-10/h6-9H,4-5H2,1-3H3,(H,13,14)
InChIKeyCEKCJWUWJCUQSN-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.90
Rot. Bonds3

About N-[1-(3,4-dihydropyridin-6-yl)ethyl]-2-methylpropanamide

N-[1-(3,4-dihydropyridin-6-yl)ethyl]-2-methylpropanamide (PubChem CID 137490627) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-[1-(3,4-dihydropyridin-6-yl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(3,4-dihydropyridin-6-yl)ethyl]-2-methylpropanamide
PubChem CID137490627
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-[1-(3,4-dihydropyridin-6-yl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(C)C1=CCCC=N1
InChIInChI=1S/C11H18N2O/c1-8(2)11(14)13-9(3)10-6-4-5-7-12-10/h6-9H,4-5H2,1-3H3,(H,13,14)
InChIKeyCEKCJWUWJCUQSN-UHFFFAOYSA-N
XLogP1.90
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dihydropyridin-6-yl)ethyl]-2-methylpropanamide?
The IUPAC name of N-[1-(3,4-dihydropyridin-6-yl)ethyl]-2-methylpropanamide (CID 137490627) is N-[1-(3,4-dihydropyridin-6-yl)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(3,4-dihydropyridin-6-yl)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[1-(3,4-dihydropyridin-6-yl)ethyl]-2-methylpropanamide is CC(C)C(=O)NC(C)C1=CCCC=N1.
What is the InChIKey of N-[1-(3,4-dihydropyridin-6-yl)ethyl]-2-methylpropanamide?
The InChIKey is CEKCJWUWJCUQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(2)11(14)13-9(3)10-6-4-5-7-12-10/h6-9H,4-5H2,1-3H3,(H,13,14).
What are the key properties of N-[1-(3,4-dihydropyridin-6-yl)ethyl]-2-methylpropanamide?
N-[1-(3,4-dihydropyridin-6-yl)ethyl]-2-methylpropanamide has a molecular weight of 194.28 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dihydropyridin-6-yl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 137490627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).