(E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylpent-2-enamide

C22H41N3O2 — CID 45229533

IUPAC(E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylpent-2-enamide
SMILESCCN1CCCC1CN(CC1CCN(CCOC)CC1)C(=O)/C=C/C(C)C
InChIInChI=1S/C22H41N3O2/c1-5-24-12-6-7-21(24)18-25(22(26)9-8-19(2)3)17-20-10-13-23(14-11-20)15-16-27-4/h8-9,19-21H,5-7,10-18H2,1-4H3/b9-8+
InChIKeyADKGLTNAVQDMNV-CMDGGOBGSA-N
MW379.59 g/mol
LogP2.87
Rot. Bonds10

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

(E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylpent-2-enamide (PubChem CID 45229533) has the molecular formula C22H41N3O2 and a molecular weight of 379.59 g/mol. Its IUPAC name is (E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylpent-2-enamide
PubChem CID45229533
Molecular FormulaC22H41N3O2
Molecular Weight379.59 g/mol
Exact Mass379.32
IUPAC Name(E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylpent-2-enamide
SMILESCCN1CCCC1CN(CC1CCN(CCOC)CC1)C(=O)/C=C/C(C)C
InChIInChI=1S/C22H41N3O2/c1-5-24-12-6-7-21(24)18-25(22(26)9-8-19(2)3)17-20-10-13-23(14-11-20)15-16-27-4/h8-9,19-21H,5-7,10-18H2,1-4H3/b9-8+
InChIKeyADKGLTNAVQDMNV-CMDGGOBGSA-N
XLogP2.87
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.59
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylpent-2-enamide?
The IUPAC name of (E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylpent-2-enamide (CID 45229533) is (E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylpent-2-enamide.
What is the SMILES notation for (E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylpent-2-enamide?
The canonical SMILES for (E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylpent-2-enamide is CCN1CCCC1CN(CC1CCN(CCOC)CC1)C(=O)/C=C/C(C)C.
What is the InChIKey of (E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylpent-2-enamide?
The InChIKey is ADKGLTNAVQDMNV-CMDGGOBGSA-N. The full InChI is InChI=1S/C22H41N3O2/c1-5-24-12-6-7-21(24)18-25(22(26)9-8-19(2)3)17-20-10-13-23(14-11-20)15-16-27-4/h8-9,19-21H,5-7,10-18H2,1-4H3/b9-8+.
What are the key properties of (E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylpent-2-enamide?
(E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylpent-2-enamide has a molecular weight of 379.59 g/mol, XLogP of 2.87, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylpent-2-enamide is sourced from PubChem (CID 45229533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).