N-[4-[3-ethenyl-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]prop-2-enamide

C17H20N2O4 — CID 166419511

IUPACN-[4-[3-ethenyl-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C(=O)N2CCOCC2(C=C)CO)cc1
InChIInChI=1S/C17H20N2O4/c1-3-15(21)18-14-7-5-13(6-8-14)16(22)19-9-10-23-12-17(19,4-2)11-20/h3-8,20H,1-2,9-12H2,(H,18,21)
InChIKeyZRIATKLJEMPHQL-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.20
Rot. Bonds5

About N-[4-[3-ethenyl-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]prop-2-enamide

N-[4-[3-ethenyl-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]prop-2-enamide (PubChem CID 166419511) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[4-[3-ethenyl-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[3-ethenyl-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]prop-2-enamide
PubChem CID166419511
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-[4-[3-ethenyl-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C(=O)N2CCOCC2(C=C)CO)cc1
InChIInChI=1S/C17H20N2O4/c1-3-15(21)18-14-7-5-13(6-8-14)16(22)19-9-10-23-12-17(19,4-2)11-20/h3-8,20H,1-2,9-12H2,(H,18,21)
InChIKeyZRIATKLJEMPHQL-UHFFFAOYSA-N
XLogP1.20
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]prop-2-enamide
CID 166403525
1-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-phenylurea
CID 110352798
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]morpholine-4-carboxamide
CID 110352817
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-thiophen-2-ylacetamide
CID 110352787
4-[(3,3-dimethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61427841
N-[4-(7-bromo-2,3-dihydroimidazo[2,1-e]pyrazole-1-carbonyl)phenyl]prop-2-enamide
CID 166411726
N-[4-[4-(4-fluorobenzoyl)-1,4-diazepane-1-carbonyl]phenyl]prop-2-enamide
CID 166411881
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3,4-dimethylbenzamide
CID 110352784
N-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(prop-2-enoylamino)benzamide
CID 166407354
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]oxolane-2-carboxamide
CID 110352768
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]adamantane-1-carboxamide
CID 110352818
N-[4-(2,2-dimethyl-3-oxo-1-oxa-4,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]prop-2-enamide
CID 166410814

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-ethenyl-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[3-ethenyl-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]prop-2-enamide (CID 166419511) is N-[4-[3-ethenyl-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[3-ethenyl-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[3-ethenyl-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(C(=O)N2CCOCC2(C=C)CO)cc1.
What is the InChIKey of N-[4-[3-ethenyl-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]prop-2-enamide?
The InChIKey is ZRIATKLJEMPHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-3-15(21)18-14-7-5-13(6-8-14)16(22)19-9-10-23-12-17(19,4-2)11-20/h3-8,20H,1-2,9-12H2,(H,18,21).
What are the key properties of N-[4-[3-ethenyl-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]prop-2-enamide?
N-[4-[3-ethenyl-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]prop-2-enamide has a molecular weight of 316.36 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-ethenyl-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]prop-2-enamide is sourced from PubChem (CID 166419511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).