N-ethyl-3-methoxy-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]propanamide

C13H24N2O2 — CID 50969079

IUPACN-ethyl-3-methoxy-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]propanamide
SMILESCCN(CC1=CCN(C)CC1)C(=O)CCOC
InChIInChI=1S/C13H24N2O2/c1-4-15(13(16)7-10-17-3)11-12-5-8-14(2)9-6-12/h5H,4,6-11H2,1-3H3
InChIKeyVLWNPNKZJYDWNN-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.13
Rot. Bonds6

About N-ethyl-3-methoxy-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]propanamide

N-ethyl-3-methoxy-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]propanamide (PubChem CID 50969079) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-ethyl-3-methoxy-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-methoxy-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]propanamide
PubChem CID50969079
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-ethyl-3-methoxy-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]propanamide
SMILESCCN(CC1=CCN(C)CC1)C(=O)CCOC
InChIInChI=1S/C13H24N2O2/c1-4-15(13(16)7-10-17-3)11-12-5-8-14(2)9-6-12/h5H,4,6-11H2,1-3H3
InChIKeyVLWNPNKZJYDWNN-UHFFFAOYSA-N
XLogP1.13
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]propanamide?
The IUPAC name of N-ethyl-3-methoxy-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]propanamide (CID 50969079) is N-ethyl-3-methoxy-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]propanamide.
What is the SMILES notation for N-ethyl-3-methoxy-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]propanamide?
The canonical SMILES for N-ethyl-3-methoxy-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]propanamide is CCN(CC1=CCN(C)CC1)C(=O)CCOC.
What is the InChIKey of N-ethyl-3-methoxy-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]propanamide?
The InChIKey is VLWNPNKZJYDWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-15(13(16)7-10-17-3)11-12-5-8-14(2)9-6-12/h5H,4,6-11H2,1-3H3.
What are the key properties of N-ethyl-3-methoxy-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]propanamide?
N-ethyl-3-methoxy-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]propanamide has a molecular weight of 240.35 g/mol, XLogP of 1.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]propanamide is sourced from PubChem (CID 50969079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).