(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]prop-2-enamide

C23H29N3O5 — CID 84560023

IUPAC(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2ccc(OCCN3CCOCC3)nc2)cc1OC
InChIInChI=1S/C23H29N3O5/c1-3-30-20-7-4-18(16-21(20)28-2)5-8-22(27)25-19-6-9-23(24-17-19)31-15-12-26-10-13-29-14-11-26/h4-9,16-17H,3,10-15H2,1-2H3,(H,25,27)/b8-5+
InChIKeyZQKBGVYBVVYESJ-VMPITWQZSA-N
MW427.50 g/mol
LogP2.85
Rot. Bonds10

About (E)-3-(4-ethoxy-3-methoxyphenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]prop-2-enamide

(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]prop-2-enamide (PubChem CID 84560023) has the molecular formula C23H29N3O5 and a molecular weight of 427.50 g/mol. Its IUPAC name is (E)-3-(4-ethoxy-3-methoxyphenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]prop-2-enamide
PubChem CID84560023
Molecular FormulaC23H29N3O5
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC Name(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2ccc(OCCN3CCOCC3)nc2)cc1OC
InChIInChI=1S/C23H29N3O5/c1-3-30-20-7-4-18(16-21(20)28-2)5-8-22(27)25-19-6-9-23(24-17-19)31-15-12-26-10-13-29-14-11-26/h4-9,16-17H,3,10-15H2,1-2H3,(H,25,27)/b8-5+
InChIKeyZQKBGVYBVVYESJ-VMPITWQZSA-N
XLogP2.85
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (E)-3-(4-ethoxy-3-methoxyphenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]prop-2-enamide with MolForge

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Related Compounds

ethyl 3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate
CID 69299982
3-(4-ethoxy-3-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 78791975
(1E,4E)-1,5-bis[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]penta-1,4-dien-3-one
CID 127035896
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 1122694
(E)-N-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enamide
CID 67102748
4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]morpholine
CID 58923296
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[4-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide
CID 166198744
3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]prop-2-enamide
CID 55906567
(E)-3-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 1107601
(E)-3-(1H-indazol-3-yl)-N-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide
CID 11304749
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 39953622
(E)-N-(4-aminophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 28854464

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethoxy-3-methoxyphenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-ethoxy-3-methoxyphenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]prop-2-enamide (CID 84560023) is (E)-3-(4-ethoxy-3-methoxyphenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-ethoxy-3-methoxyphenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-ethoxy-3-methoxyphenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]prop-2-enamide is CCOc1ccc(/C=C/C(=O)Nc2ccc(OCCN3CCOCC3)nc2)cc1OC.
What is the InChIKey of (E)-3-(4-ethoxy-3-methoxyphenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]prop-2-enamide?
The InChIKey is ZQKBGVYBVVYESJ-VMPITWQZSA-N. The full InChI is InChI=1S/C23H29N3O5/c1-3-30-20-7-4-18(16-21(20)28-2)5-8-22(27)25-19-6-9-23(24-17-19)31-15-12-26-10-13-29-14-11-26/h4-9,16-17H,3,10-15H2,1-2H3,(H,25,27)/b8-5+.
What are the key properties of (E)-3-(4-ethoxy-3-methoxyphenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]prop-2-enamide?
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]prop-2-enamide has a molecular weight of 427.50 g/mol, XLogP of 2.85, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethoxy-3-methoxyphenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 84560023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).