N-(5-acetyl-2-morpholin-4-ylphenyl)prop-2-enamide

C15H18N2O3 — CID 137322001

IUPACN-(5-acetyl-2-morpholin-4-ylphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(C(C)=O)ccc1N1CCOCC1
InChIInChI=1S/C15H18N2O3/c1-3-15(19)16-13-10-12(11(2)18)4-5-14(13)17-6-8-20-9-7-17/h3-5,10H,1,6-9H2,2H3,(H,16,19)
InChIKeyLWAYJLUFKFZQBE-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.85
Rot. Bonds4

About N-(5-acetyl-2-morpholin-4-ylphenyl)prop-2-enamide

N-(5-acetyl-2-morpholin-4-ylphenyl)prop-2-enamide (PubChem CID 137322001) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(5-acetyl-2-morpholin-4-ylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(5-acetyl-2-morpholin-4-ylphenyl)prop-2-enamide
PubChem CID137322001
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-(5-acetyl-2-morpholin-4-ylphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(C(C)=O)ccc1N1CCOCC1
InChIInChI=1S/C15H18N2O3/c1-3-15(19)16-13-10-12(11(2)18)4-5-14(13)17-6-8-20-9-7-17/h3-5,10H,1,6-9H2,2H3,(H,16,19)
InChIKeyLWAYJLUFKFZQBE-UHFFFAOYSA-N
XLogP1.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)prop-2-enamide
CID 166404561
3-[(4-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid
CID 53052846
3-[(4-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid
CID 53052897
4-fluoro-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092686
3-(3-methylphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 75618828
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 4027785
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 146131067
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
(E)-3-(4-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)but-2-enamide
CID 110297163
N-(3-amino-4-morpholin-4-ylphenyl)acetamide
CID 42560587
N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 110400478
N-(5-benzoyl-2-morpholin-4-ylphenyl)-2-phenylacetamide
CID 2204318

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-morpholin-4-ylphenyl)prop-2-enamide?
The IUPAC name of N-(5-acetyl-2-morpholin-4-ylphenyl)prop-2-enamide (CID 137322001) is N-(5-acetyl-2-morpholin-4-ylphenyl)prop-2-enamide.
What is the SMILES notation for N-(5-acetyl-2-morpholin-4-ylphenyl)prop-2-enamide?
The canonical SMILES for N-(5-acetyl-2-morpholin-4-ylphenyl)prop-2-enamide is C=CC(=O)Nc1cc(C(C)=O)ccc1N1CCOCC1.
What is the InChIKey of N-(5-acetyl-2-morpholin-4-ylphenyl)prop-2-enamide?
The InChIKey is LWAYJLUFKFZQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-15(19)16-13-10-12(11(2)18)4-5-14(13)17-6-8-20-9-7-17/h3-5,10H,1,6-9H2,2H3,(H,16,19).
What are the key properties of N-(5-acetyl-2-morpholin-4-ylphenyl)prop-2-enamide?
N-(5-acetyl-2-morpholin-4-ylphenyl)prop-2-enamide has a molecular weight of 274.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-morpholin-4-ylphenyl)prop-2-enamide is sourced from PubChem (CID 137322001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).