(Z)-3-(3-methoxyphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]prop-2-enamide

C17H22N2O4 — CID 97435389

IUPAC(Z)-3-(3-methoxyphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]prop-2-enamide
SMILESCOc1cccc(/C=C\C(=O)N[C@@H](C)C(=O)N2CCOCC2)c1
InChIInChI=1S/C17H22N2O4/c1-13(17(21)19-8-10-23-11-9-19)18-16(20)7-6-14-4-3-5-15(12-14)22-2/h3-7,12-13H,8-11H2,1-2H3,(H,18,20)/b7-6-/t13-/m0/s1
InChIKeyKOQMDNXALBSGLQ-FWWRYZNZSA-N
MW318.37 g/mol
LogP1.07
Rot. Bonds5

About (Z)-3-(3-methoxyphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]prop-2-enamide

(Z)-3-(3-methoxyphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]prop-2-enamide (PubChem CID 97435389) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is (Z)-3-(3-methoxyphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-methoxyphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]prop-2-enamide
PubChem CID97435389
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name(Z)-3-(3-methoxyphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]prop-2-enamide
SMILESCOc1cccc(/C=C\C(=O)N[C@@H](C)C(=O)N2CCOCC2)c1
InChIInChI=1S/C17H22N2O4/c1-13(17(21)19-8-10-23-11-9-19)18-16(20)7-6-14-4-3-5-15(12-14)22-2/h3-7,12-13H,8-11H2,1-2H3,(H,18,20)/b7-6-/t13-/m0/s1
InChIKeyKOQMDNXALBSGLQ-FWWRYZNZSA-N
XLogP1.07
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-3-(3-methoxyphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]prop-2-enamide with MolForge

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Related Compounds

(E)-N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide
CID 51161508
methyl 4-[(E)-3-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-3-oxoprop-1-enyl]benzoate
CID 51097629
(E)-N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide
CID 51166216
(E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 27396981
(E)-3-(3-methoxyphenyl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]prop-2-enamide
CID 32861859
2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81354077
(2S)-2-(3-methoxyphenoxy)-1-morpholin-4-ylpropan-1-one
CID 92679202
(E)-3-(4-methoxyphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]prop-2-enamide
CID 18160171
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(3-methoxyphenyl)prop-2-enamide
CID 79252669
(E)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 22605662
(E)-3-(4-methoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]prop-2-enamide
CID 18161234
(E)-3-(3-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
CID 30254917

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-methoxyphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]prop-2-enamide?
The IUPAC name of (Z)-3-(3-methoxyphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]prop-2-enamide (CID 97435389) is (Z)-3-(3-methoxyphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]prop-2-enamide.
What is the SMILES notation for (Z)-3-(3-methoxyphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]prop-2-enamide?
The canonical SMILES for (Z)-3-(3-methoxyphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]prop-2-enamide is COc1cccc(/C=C\C(=O)N[C@@H](C)C(=O)N2CCOCC2)c1.
What is the InChIKey of (Z)-3-(3-methoxyphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]prop-2-enamide?
The InChIKey is KOQMDNXALBSGLQ-FWWRYZNZSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-13(17(21)19-8-10-23-11-9-19)18-16(20)7-6-14-4-3-5-15(12-14)22-2/h3-7,12-13H,8-11H2,1-2H3,(H,18,20)/b7-6-/t13-/m0/s1.
What are the key properties of (Z)-3-(3-methoxyphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]prop-2-enamide?
(Z)-3-(3-methoxyphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]prop-2-enamide has a molecular weight of 318.37 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-methoxyphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]prop-2-enamide is sourced from PubChem (CID 97435389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).