N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]but-3-enamide

C20H37N3O2 — CID 45205969

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]but-3-enamide
SMILESC=CCC(=O)N(CC1CCN(CCOC)CC1)CC1CCCN1CC
InChIInChI=1S/C20H37N3O2/c1-4-7-20(24)23(17-19-8-6-11-22(19)5-2)16-18-9-12-21(13-10-18)14-15-25-3/h4,18-19H,1,5-17H2,2-3H3
InChIKeyYDNGAKYDJJFZOQ-UHFFFAOYSA-N
MW351.54 g/mol
LogP2.23
Rot. Bonds10

About N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]but-3-enamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]but-3-enamide (PubChem CID 45205969) has the molecular formula C20H37N3O2 and a molecular weight of 351.54 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]but-3-enamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]but-3-enamide
PubChem CID45205969
Molecular FormulaC20H37N3O2
Molecular Weight351.54 g/mol
Exact Mass351.29
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]but-3-enamide
SMILESC=CCC(=O)N(CC1CCN(CCOC)CC1)CC1CCCN1CC
InChIInChI=1S/C20H37N3O2/c1-4-7-20(24)23(17-19-8-6-11-22(19)5-2)16-18-9-12-21(13-10-18)14-15-25-3/h4,18-19H,1,5-17H2,2-3H3
InChIKeyYDNGAKYDJJFZOQ-UHFFFAOYSA-N
XLogP2.23
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]but-3-enamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]but-3-enamide (CID 45205969) is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]but-3-enamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]but-3-enamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]but-3-enamide is C=CCC(=O)N(CC1CCN(CCOC)CC1)CC1CCCN1CC.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]but-3-enamide?
The InChIKey is YDNGAKYDJJFZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O2/c1-4-7-20(24)23(17-19-8-6-11-22(19)5-2)16-18-9-12-21(13-10-18)14-15-25-3/h4,18-19H,1,5-17H2,2-3H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]but-3-enamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]but-3-enamide has a molecular weight of 351.54 g/mol, XLogP of 2.23, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]but-3-enamide is sourced from PubChem (CID 45205969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).