(E)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-3-(3-propan-2-yloxyphenyl)prop-2-enamide

C25H32N2O4 — CID 84559276

IUPAC(E)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-3-(3-propan-2-yloxyphenyl)prop-2-enamide
SMILESCC(C)Oc1cccc(/C=C/C(=O)Nc2ccc(C(O)CCN3CCOCC3)cc2)c1
InChIInChI=1S/C25H32N2O4/c1-19(2)31-23-5-3-4-20(18-23)6-11-25(29)26-22-9-7-21(8-10-22)24(28)12-13-27-14-16-30-17-15-27/h3-11,18-19,24,28H,12-17H2,1-2H3,(H,26,29)/b11-6+
InChIKeyFFSWMWUVAANZIW-IZZDOVSWSA-N
MW424.54 g/mol
LogP3.88
Rot. Bonds9

About (E)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-3-(3-propan-2-yloxyphenyl)prop-2-enamide

(E)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-3-(3-propan-2-yloxyphenyl)prop-2-enamide (PubChem CID 84559276) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is (E)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-3-(3-propan-2-yloxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-3-(3-propan-2-yloxyphenyl)prop-2-enamide
PubChem CID84559276
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name(E)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-3-(3-propan-2-yloxyphenyl)prop-2-enamide
SMILESCC(C)Oc1cccc(/C=C/C(=O)Nc2ccc(C(O)CCN3CCOCC3)cc2)c1
InChIInChI=1S/C25H32N2O4/c1-19(2)31-23-5-3-4-20(18-23)6-11-25(29)26-22-9-7-21(8-10-22)24(28)12-13-27-14-16-30-17-15-27/h3-11,18-19,24,28H,12-17H2,1-2H3,(H,26,29)/b11-6+
InChIKeyFFSWMWUVAANZIW-IZZDOVSWSA-N
XLogP3.88
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 27396981
5-bromo-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]furan-2-carboxamide
CID 84559000
(E)-3-(3-aminophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 39406540
3-morpholin-4-yl-1-(4-propan-2-ylphenyl)propan-1-ol
CID 82105505
(1R)-2-morpholin-4-yl-1-[4-(3-propan-2-yloxyphenyl)phenyl]ethanol
CID 126434347
3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]prop-2-enamide
CID 55906567
N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-4-(trifluoromethyl)benzamide
CID 84558640
(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-enamide
CID 950916
2-(4-chlorophenoxy)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide
CID 84559932
(E)-3-(3-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 28923789
(E)-3-(3-piperidin-1-ylsulfonylphenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 66872579
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(3-propan-2-yloxyphenyl)prop-2-en-1-one
CID 111105265

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-3-(3-propan-2-yloxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-3-(3-propan-2-yloxyphenyl)prop-2-enamide (CID 84559276) is (E)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-3-(3-propan-2-yloxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-3-(3-propan-2-yloxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-3-(3-propan-2-yloxyphenyl)prop-2-enamide is CC(C)Oc1cccc(/C=C/C(=O)Nc2ccc(C(O)CCN3CCOCC3)cc2)c1.
What is the InChIKey of (E)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-3-(3-propan-2-yloxyphenyl)prop-2-enamide?
The InChIKey is FFSWMWUVAANZIW-IZZDOVSWSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-19(2)31-23-5-3-4-20(18-23)6-11-25(29)26-22-9-7-21(8-10-22)24(28)12-13-27-14-16-30-17-15-27/h3-11,18-19,24,28H,12-17H2,1-2H3,(H,26,29)/b11-6+.
What are the key properties of (E)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-3-(3-propan-2-yloxyphenyl)prop-2-enamide?
(E)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-3-(3-propan-2-yloxyphenyl)prop-2-enamide has a molecular weight of 424.54 g/mol, XLogP of 3.88, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-3-(3-propan-2-yloxyphenyl)prop-2-enamide is sourced from PubChem (CID 84559276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).