N-[3-(2-ethylmorpholine-4-carbonyl)-4-hydroxyphenyl]prop-2-enamide

C16H20N2O4 — CID 166408627

IUPACN-[3-(2-ethylmorpholine-4-carbonyl)-4-hydroxyphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(O)c(C(=O)N2CCOC(CC)C2)c1
InChIInChI=1S/C16H20N2O4/c1-3-12-10-18(7-8-22-12)16(21)13-9-11(5-6-14(13)19)17-15(20)4-2/h4-6,9,12,19H,2-3,7-8,10H2,1H3,(H,17,20)
InChIKeyRFWPODONSOJJKZ-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.77
Rot. Bonds4

About N-[3-(2-ethylmorpholine-4-carbonyl)-4-hydroxyphenyl]prop-2-enamide

N-[3-(2-ethylmorpholine-4-carbonyl)-4-hydroxyphenyl]prop-2-enamide (PubChem CID 166408627) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[3-(2-ethylmorpholine-4-carbonyl)-4-hydroxyphenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(2-ethylmorpholine-4-carbonyl)-4-hydroxyphenyl]prop-2-enamide
PubChem CID166408627
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN-[3-(2-ethylmorpholine-4-carbonyl)-4-hydroxyphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(O)c(C(=O)N2CCOC(CC)C2)c1
InChIInChI=1S/C16H20N2O4/c1-3-12-10-18(7-8-22-12)16(21)13-9-11(5-6-14(13)19)17-15(20)4-2/h4-6,9,12,19H,2-3,7-8,10H2,1H3,(H,17,20)
InChIKeyRFWPODONSOJJKZ-UHFFFAOYSA-N
XLogP1.77
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-hydroxy-3-[3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide
CID 166408692
N-[4-hydroxy-3-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl]acetamide
CID 97028515
N-[4-hydroxy-3-[4-(1-methylpyrrole-2-carbonyl)piperazine-1-carbonyl]phenyl]prop-2-enamide
CID 166408632
N-[4-hydroxy-3-(2-propylpiperidine-1-carbonyl)phenyl]prop-2-enamide
CID 166408693
2-ethyl-N-(4-methylphenyl)morpholine-4-carboxamide
CID 42884313
N-[4-hydroxy-3-[3-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide
CID 166412625
(5-chloro-2-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 60733638
(5-amino-2-chlorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 43562207
(2-ethylmorpholin-4-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 62170253
[2-(ethylamino)-5-methylphenyl]-(2-ethylmorpholin-4-yl)methanone
CID 62510031
(2-ethylmorpholin-4-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81242863
2-[4-(2,5-dihydroxybenzoyl)morpholin-2-yl]acetic acid
CID 107721729

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylmorpholine-4-carbonyl)-4-hydroxyphenyl]prop-2-enamide?
The IUPAC name of N-[3-(2-ethylmorpholine-4-carbonyl)-4-hydroxyphenyl]prop-2-enamide (CID 166408627) is N-[3-(2-ethylmorpholine-4-carbonyl)-4-hydroxyphenyl]prop-2-enamide.
What is the SMILES notation for N-[3-(2-ethylmorpholine-4-carbonyl)-4-hydroxyphenyl]prop-2-enamide?
The canonical SMILES for N-[3-(2-ethylmorpholine-4-carbonyl)-4-hydroxyphenyl]prop-2-enamide is C=CC(=O)Nc1ccc(O)c(C(=O)N2CCOC(CC)C2)c1.
What is the InChIKey of N-[3-(2-ethylmorpholine-4-carbonyl)-4-hydroxyphenyl]prop-2-enamide?
The InChIKey is RFWPODONSOJJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-3-12-10-18(7-8-22-12)16(21)13-9-11(5-6-14(13)19)17-15(20)4-2/h4-6,9,12,19H,2-3,7-8,10H2,1H3,(H,17,20).
What are the key properties of N-[3-(2-ethylmorpholine-4-carbonyl)-4-hydroxyphenyl]prop-2-enamide?
N-[3-(2-ethylmorpholine-4-carbonyl)-4-hydroxyphenyl]prop-2-enamide has a molecular weight of 304.35 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylmorpholine-4-carbonyl)-4-hydroxyphenyl]prop-2-enamide is sourced from PubChem (CID 166408627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).