(Z)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide

C15H20N2O3 — CID 170877328

IUPAC(Z)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide
SMILESNC(=O)/C=C\c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C15H20N2O3/c16-15(18)6-3-13-1-4-14(5-2-13)20-12-9-17-7-10-19-11-8-17/h1-6H,7-12H2,(H2,16,18)/b6-3-
InChIKeyOCPBPMSZXYNPGN-UTCJRWHESA-N
MW276.34 g/mol
LogP0.90
Rot. Bonds6

About (Z)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide

(Z)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide (PubChem CID 170877328) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (Z)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide
PubChem CID170877328
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(Z)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide
SMILESNC(=O)/C=C\c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C15H20N2O3/c16-15(18)6-3-13-1-4-14(5-2-13)20-12-9-17-7-10-19-11-8-17/h1-6H,7-12H2,(H2,16,18)/b6-3-
InChIKeyOCPBPMSZXYNPGN-UTCJRWHESA-N
XLogP0.90
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.90
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

1,7-bis[4-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-dione
CID 123906714
(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid
CID 18363070
methyl (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate
CID 89092566
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
(E)-1-[4-(difluoromethoxy)phenyl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one
CID 19542949
4-(2-morpholin-4-ylethoxy)benzaldehyde;hydrochloride
CID 23117912
1-(1,3-benzodioxol-5-yl)-7-[4-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-dione
CID 123241646
(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one
CID 15086407
(E)-1-(2-methoxyphenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one
CID 19567083
(E)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-phenylprop-2-en-1-one
CID 101157228
(E)-1-(2,5-dimethylpyrazol-3-yl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one
CID 19567216
(E)-1-(4-hydroxy-3-methoxyphenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one
CID 19566862

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide?
The IUPAC name of (Z)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide (CID 170877328) is (Z)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (Z)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide is NC(=O)/C=C\c1ccc(OCCN2CCOCC2)cc1.
What is the InChIKey of (Z)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide?
The InChIKey is OCPBPMSZXYNPGN-UTCJRWHESA-N. The full InChI is InChI=1S/C15H20N2O3/c16-15(18)6-3-13-1-4-14(5-2-13)20-12-9-17-7-10-19-11-8-17/h1-6H,7-12H2,(H2,16,18)/b6-3-.
What are the key properties of (Z)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide?
(Z)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide has a molecular weight of 276.34 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 170877328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).