(E)-N-benzyl-N-methyl-2-(morpholin-4-ylmethyl)but-2-enamide

C17H24N2O2 — CID 177014366

IUPAC(E)-N-benzyl-N-methyl-2-(morpholin-4-ylmethyl)but-2-enamide
SMILESC/C=C(\CN1CCOCC1)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C17H24N2O2/c1-3-16(14-19-9-11-21-12-10-19)17(20)18(2)13-15-7-5-4-6-8-15/h3-8H,9-14H2,1-2H3/b16-3+
InChIKeyQVGSCJFTLLWULA-HQYXKAPLSA-N
MW288.39 g/mol
LogP1.92
Rot. Bonds5

About (E)-N-benzyl-N-methyl-2-(morpholin-4-ylmethyl)but-2-enamide

(E)-N-benzyl-N-methyl-2-(morpholin-4-ylmethyl)but-2-enamide (PubChem CID 177014366) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (E)-N-benzyl-N-methyl-2-(morpholin-4-ylmethyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-N-methyl-2-(morpholin-4-ylmethyl)but-2-enamide
PubChem CID177014366
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(E)-N-benzyl-N-methyl-2-(morpholin-4-ylmethyl)but-2-enamide
SMILESC/C=C(\CN1CCOCC1)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C17H24N2O2/c1-3-16(14-19-9-11-21-12-10-19)17(20)18(2)13-15-7-5-4-6-8-15/h3-8H,9-14H2,1-2H3/b16-3+
InChIKeyQVGSCJFTLLWULA-HQYXKAPLSA-N
XLogP1.92
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-benzyl-4-N-methyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045869
1-benzyl-1-methyl-3-(3-morpholin-4-ylpropyl)thiourea
CID 8656769
N-benzyl-2-(4-ethylpiperazin-1-yl)-N-methyl-2-oxoacetamide
CID 108518814
1-benzyl-3-ethyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine
CID 110950702
[2-[benzyl(methyl)amino]-2-oxoethyl] morpholine-4-carbodithioate
CID 87047530
N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide
CID 60645191
3-[[benzyl(methyl)carbamoyl]amino]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 56512786
N-benzyl-N,N'-dimethyl-N'-phenyloxamide
CID 108518736
S-(morpholin-4-ylmethyl) 2-phenylethanethioate
CID 24975270
3-[benzyl(methyl)amino]-2,3-dioxopropanoic acid
CID 130891258
(E)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-phenylprop-2-enamide
CID 26972711
S-trityl 2-morpholin-4-ylethanethioate
CID 15780363

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-N-methyl-2-(morpholin-4-ylmethyl)but-2-enamide?
The IUPAC name of (E)-N-benzyl-N-methyl-2-(morpholin-4-ylmethyl)but-2-enamide (CID 177014366) is (E)-N-benzyl-N-methyl-2-(morpholin-4-ylmethyl)but-2-enamide.
What is the SMILES notation for (E)-N-benzyl-N-methyl-2-(morpholin-4-ylmethyl)but-2-enamide?
The canonical SMILES for (E)-N-benzyl-N-methyl-2-(morpholin-4-ylmethyl)but-2-enamide is C/C=C(\CN1CCOCC1)C(=O)N(C)Cc1ccccc1.
What is the InChIKey of (E)-N-benzyl-N-methyl-2-(morpholin-4-ylmethyl)but-2-enamide?
The InChIKey is QVGSCJFTLLWULA-HQYXKAPLSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-16(14-19-9-11-21-12-10-19)17(20)18(2)13-15-7-5-4-6-8-15/h3-8H,9-14H2,1-2H3/b16-3+.
What are the key properties of (E)-N-benzyl-N-methyl-2-(morpholin-4-ylmethyl)but-2-enamide?
(E)-N-benzyl-N-methyl-2-(morpholin-4-ylmethyl)but-2-enamide has a molecular weight of 288.39 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-N-methyl-2-(morpholin-4-ylmethyl)but-2-enamide is sourced from PubChem (CID 177014366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).