3-methyl-N-(4-morpholin-4-ylphenyl)but-2-enamide

C15H20N2O2 — CID 731852

IUPAC3-methyl-N-(4-morpholin-4-ylphenyl)but-2-enamide
SMILESCC(C)=CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H20N2O2/c1-12(2)11-15(18)16-13-3-5-14(6-4-13)17-7-9-19-10-8-17/h3-6,11H,7-10H2,1-2H3,(H,16,18)
InChIKeyDFKBSVLEKVOZNL-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.43
Rot. Bonds3

About 3-methyl-N-(4-morpholin-4-ylphenyl)but-2-enamide

3-methyl-N-(4-morpholin-4-ylphenyl)but-2-enamide (PubChem CID 731852) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-methyl-N-(4-morpholin-4-ylphenyl)but-2-enamide.

Molecular Properties

Compound Name3-methyl-N-(4-morpholin-4-ylphenyl)but-2-enamide
PubChem CID731852
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-methyl-N-(4-morpholin-4-ylphenyl)but-2-enamide
SMILESCC(C)=CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H20N2O2/c1-12(2)11-15(18)16-13-3-5-14(6-4-13)17-7-9-19-10-8-17/h3-6,11H,7-10H2,1-2H3,(H,16,18)
InChIKeyDFKBSVLEKVOZNL-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
3-methyl-1-(4-morpholin-4-ylphenyl)but-2-en-1-one
CID 146007688
1-(4-chlorophenyl)-3-(4-morpholin-4-ylanilino)but-2-en-1-one
CID 2953290
N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048
1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea
CID 47173524
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
(E)-3-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 1107601
1-(4-acetylphenyl)-3-(4-morpholin-4-ylphenyl)thiourea chloride
CID 53351041
3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 878244
2-hydrazinyl-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide
CID 59464167
1,1-dimethyl-3-[4-(4-morpholin-4-ylphenyl)phenyl]urea
CID 72939182
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-morpholin-4-ylphenyl)but-2-enamide?
The IUPAC name of 3-methyl-N-(4-morpholin-4-ylphenyl)but-2-enamide (CID 731852) is 3-methyl-N-(4-morpholin-4-ylphenyl)but-2-enamide.
What is the SMILES notation for 3-methyl-N-(4-morpholin-4-ylphenyl)but-2-enamide?
The canonical SMILES for 3-methyl-N-(4-morpholin-4-ylphenyl)but-2-enamide is CC(C)=CC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 3-methyl-N-(4-morpholin-4-ylphenyl)but-2-enamide?
The InChIKey is DFKBSVLEKVOZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-12(2)11-15(18)16-13-3-5-14(6-4-13)17-7-9-19-10-8-17/h3-6,11H,7-10H2,1-2H3,(H,16,18).
What are the key properties of 3-methyl-N-(4-morpholin-4-ylphenyl)but-2-enamide?
3-methyl-N-(4-morpholin-4-ylphenyl)but-2-enamide has a molecular weight of 260.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-morpholin-4-ylphenyl)but-2-enamide is sourced from PubChem (CID 731852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).