3-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]but-2-enamide

C17H24N2O2 — CID 31786572

IUPAC3-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]but-2-enamide
SMILESCC(C)=CC(=O)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C17H24N2O2/c1-14(2)11-17(20)18-12-15-5-3-4-6-16(15)13-19-7-9-21-10-8-19/h3-6,11H,7-10,12-13H2,1-2H3,(H,18,20)
InChIKeyHOUANIOHLZLIGR-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.10
Rot. Bonds5

About 3-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]but-2-enamide

3-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]but-2-enamide (PubChem CID 31786572) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]but-2-enamide.

Molecular Properties

Compound Name3-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]but-2-enamide
PubChem CID31786572
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]but-2-enamide
SMILESCC(C)=CC(=O)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C17H24N2O2/c1-14(2)11-17(20)18-12-15-5-3-4-6-16(15)13-19-7-9-21-10-8-19/h3-6,11H,7-10,12-13H2,1-2H3,(H,18,20)
InChIKeyHOUANIOHLZLIGR-UHFFFAOYSA-N
XLogP2.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 43346970
2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 63679084
1-methoxy-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 47160584
(E)-3-(3-chlorophenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]prop-2-enamide
CID 9481219
2-methyl-3-(methylamino)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 119834774
2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 27887322
4-tert-butyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 9481155
3-amino-2,2-dimethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 119834747
2-ethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 60668732
2,2-dimethyl-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]propanamide
CID 31444039
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-phenylbenzamide
CID 31961123
1-[(4-chlorophenyl)methyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 36874306

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]but-2-enamide?
The IUPAC name of 3-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]but-2-enamide (CID 31786572) is 3-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]but-2-enamide.
What is the SMILES notation for 3-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]but-2-enamide?
The canonical SMILES for 3-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]but-2-enamide is CC(C)=CC(=O)NCc1ccccc1CN1CCOCC1.
What is the InChIKey of 3-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]but-2-enamide?
The InChIKey is HOUANIOHLZLIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-14(2)11-17(20)18-12-15-5-3-4-6-16(15)13-19-7-9-21-10-8-19/h3-6,11H,7-10,12-13H2,1-2H3,(H,18,20).
What are the key properties of 3-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]but-2-enamide?
3-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]but-2-enamide has a molecular weight of 288.39 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]but-2-enamide is sourced from PubChem (CID 31786572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).