(E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide

C16H22N2O3 — CID 27396981

IUPAC(E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C16H22N2O3/c1-20-15-4-2-3-14(13-15)5-6-16(19)17-7-8-18-9-11-21-12-10-18/h2-6,13H,7-12H2,1H3,(H,17,19)/b6-5+
InChIKeyCPRZRPBVIYJLNW-AATRIKPKSA-N
MW290.36 g/mol
LogP1.16
Rot. Bonds6

About (E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide

(E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide (PubChem CID 27396981) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
PubChem CID27396981
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C16H22N2O3/c1-20-15-4-2-3-14(13-15)5-6-16(19)17-7-8-18-9-11-21-12-10-18/h2-6,13H,7-12H2,1H3,(H,17,19)/b6-5+
InChIKeyCPRZRPBVIYJLNW-AATRIKPKSA-N
XLogP1.16
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.16
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

(E)-3-(3,5-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 36842232
(E)-3-(3-methoxyphenyl)-N-(4-pyrrolidin-1-ylbutyl)prop-2-enamide
CID 27397147
(E)-3-(3-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
CID 30254917
(E)-3-(3-methoxyphenyl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]prop-2-enamide
CID 32861859
(E)-3-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 2318345
3-(2,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 78781003
(E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
CID 2319063
(E)-3-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 842683
(Z)-3-(3-methoxyphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]prop-2-enamide
CID 97435389
(E)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 2677564
(E)-N-(2-azidoethyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 95936690
2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51072890

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide (CID 27396981) is (E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide is COc1cccc(/C=C/C(=O)NCCN2CCOCC2)c1.
What is the InChIKey of (E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
The InChIKey is CPRZRPBVIYJLNW-AATRIKPKSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-20-15-4-2-3-14(13-15)5-6-16(19)17-7-8-18-9-11-21-12-10-18/h2-6,13H,7-12H2,1H3,(H,17,19)/b6-5+.
What are the key properties of (E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
(E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide has a molecular weight of 290.36 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide is sourced from PubChem (CID 27396981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).