N-[4-[6-(2-hydroxyethyl)-2,2-dimethylmorpholine-4-carbonyl]phenyl]-N-methylprop-2-enamide

C19H26N2O4 — CID 167918351

IUPACN-[4-[6-(2-hydroxyethyl)-2,2-dimethylmorpholine-4-carbonyl]phenyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)N2CC(CCO)OC(C)(C)C2)cc1
InChIInChI=1S/C19H26N2O4/c1-5-17(23)20(4)15-8-6-14(7-9-15)18(24)21-12-16(10-11-22)25-19(2,3)13-21/h5-9,16,22H,1,10-13H2,2-4H3
InChIKeyPYCHYYFVWDHREP-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.84
Rot. Bonds5

About N-[4-[6-(2-hydroxyethyl)-2,2-dimethylmorpholine-4-carbonyl]phenyl]-N-methylprop-2-enamide

N-[4-[6-(2-hydroxyethyl)-2,2-dimethylmorpholine-4-carbonyl]phenyl]-N-methylprop-2-enamide (PubChem CID 167918351) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[4-[6-(2-hydroxyethyl)-2,2-dimethylmorpholine-4-carbonyl]phenyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[4-[6-(2-hydroxyethyl)-2,2-dimethylmorpholine-4-carbonyl]phenyl]-N-methylprop-2-enamide
PubChem CID167918351
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC NameN-[4-[6-(2-hydroxyethyl)-2,2-dimethylmorpholine-4-carbonyl]phenyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)N2CC(CCO)OC(C)(C)C2)cc1
InChIInChI=1S/C19H26N2O4/c1-5-17(23)20(4)15-8-6-14(7-9-15)18(24)21-12-16(10-11-22)25-19(2,3)13-21/h5-9,16,22H,1,10-13H2,2-4H3
InChIKeyPYCHYYFVWDHREP-UHFFFAOYSA-N
XLogP1.84
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.84
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

[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(4-hydroxyphenyl)methanone
CID 114777165
N-[4-[(3aR,6aS)-2-acetyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-N-methylprop-2-enamide
CID 167884693
(4-ethylphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778923
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone
CID 129485960
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone
CID 114781210
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone
CID 114781933
N-methyl-N-[4-[4-(4-methylpentanoyl)piperazine-1-carbonyl]phenyl]prop-2-enamide
CID 166413857
N-[4-[3-(hydroxymethyl)-8-oxa-2-azaspiro[4.5]decane-2-carbonyl]phenyl]-N-methylprop-2-enamide
CID 166414247
N-methyl-N-[4-[4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide
CID 166414228
N-methyl-N-[4-[3-(3,3,3-trifluoropropyl)morpholine-4-carbonyl]phenyl]prop-2-enamide
CID 166416087
(3-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778918
methyl 2-[4-[methyl(prop-2-enoyl)amino]benzoyl]-5-oxa-2-azaspiro[3.4]oct-7-ene-7-carboxylate
CID 166413739

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(2-hydroxyethyl)-2,2-dimethylmorpholine-4-carbonyl]phenyl]-N-methylprop-2-enamide?
The IUPAC name of N-[4-[6-(2-hydroxyethyl)-2,2-dimethylmorpholine-4-carbonyl]phenyl]-N-methylprop-2-enamide (CID 167918351) is N-[4-[6-(2-hydroxyethyl)-2,2-dimethylmorpholine-4-carbonyl]phenyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[4-[6-(2-hydroxyethyl)-2,2-dimethylmorpholine-4-carbonyl]phenyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[4-[6-(2-hydroxyethyl)-2,2-dimethylmorpholine-4-carbonyl]phenyl]-N-methylprop-2-enamide is C=CC(=O)N(C)c1ccc(C(=O)N2CC(CCO)OC(C)(C)C2)cc1.
What is the InChIKey of N-[4-[6-(2-hydroxyethyl)-2,2-dimethylmorpholine-4-carbonyl]phenyl]-N-methylprop-2-enamide?
The InChIKey is PYCHYYFVWDHREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-5-17(23)20(4)15-8-6-14(7-9-15)18(24)21-12-16(10-11-22)25-19(2,3)13-21/h5-9,16,22H,1,10-13H2,2-4H3.
What are the key properties of N-[4-[6-(2-hydroxyethyl)-2,2-dimethylmorpholine-4-carbonyl]phenyl]-N-methylprop-2-enamide?
N-[4-[6-(2-hydroxyethyl)-2,2-dimethylmorpholine-4-carbonyl]phenyl]-N-methylprop-2-enamide has a molecular weight of 346.43 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(2-hydroxyethyl)-2,2-dimethylmorpholine-4-carbonyl]phenyl]-N-methylprop-2-enamide is sourced from PubChem (CID 167918351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).