(E)-3-(2-methoxy-5-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide

C22H28N2O4 — CID 46457175

IUPAC(E)-3-(2-methoxy-5-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide
SMILESCOc1ccc(C)cc1/C=C/C(=O)NCC(c1ccc(C)o1)N1CCOCC1
InChIInChI=1S/C22H28N2O4/c1-16-4-7-20(26-3)18(14-16)6-9-22(25)23-15-19(21-8-5-17(2)28-21)24-10-12-27-13-11-24/h4-9,14,19H,10-13,15H2,1-3H3,(H,23,25)/b9-6+
InChIKeyNAVUTBCLKKQOFI-RMKNXTFCSA-N
MW384.48 g/mol
LogP3.11
Rot. Bonds7

About (E)-3-(2-methoxy-5-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide

(E)-3-(2-methoxy-5-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide (PubChem CID 46457175) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is (E)-3-(2-methoxy-5-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methoxy-5-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide
PubChem CID46457175
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name(E)-3-(2-methoxy-5-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide
SMILESCOc1ccc(C)cc1/C=C/C(=O)NCC(c1ccc(C)o1)N1CCOCC1
InChIInChI=1S/C22H28N2O4/c1-16-4-7-20(26-3)18(14-16)6-9-22(25)23-15-19(21-8-5-17(2)28-21)24-10-12-27-13-11-24/h4-9,14,19H,10-13,15H2,1-3H3,(H,23,25)/b9-6+
InChIKeyNAVUTBCLKKQOFI-RMKNXTFCSA-N
XLogP3.11
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 55406703
(E)-3-[2-(difluoromethoxy)phenyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 55519028
(E)-3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 134056100
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18164168
2-(2,4-dimethylphenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 18164117
3-(5-chloro-2-methoxyphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 55875979
4-bromo-3,5-dimethoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 24643793
2-(5-chloro-2-methoxyphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 24643794
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 55899935
(E)-3-(1,3-benzothiazol-2-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 134045662
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(4-methylphenoxy)propanamide
CID 51283112
2-(2-chloro-5-methylphenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 18164100

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methoxy-5-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-methoxy-5-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide (CID 46457175) is (E)-3-(2-methoxy-5-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methoxy-5-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-methoxy-5-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide is COc1ccc(C)cc1/C=C/C(=O)NCC(c1ccc(C)o1)N1CCOCC1.
What is the InChIKey of (E)-3-(2-methoxy-5-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide?
The InChIKey is NAVUTBCLKKQOFI-RMKNXTFCSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-16-4-7-20(26-3)18(14-16)6-9-22(25)23-15-19(21-8-5-17(2)28-21)24-10-12-27-13-11-24/h4-9,14,19H,10-13,15H2,1-3H3,(H,23,25)/b9-6+.
What are the key properties of (E)-3-(2-methoxy-5-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide?
(E)-3-(2-methoxy-5-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide has a molecular weight of 384.48 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methoxy-5-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide is sourced from PubChem (CID 46457175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).