(E)-3-(2-bromophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide

C23H27BrN2O4 — CID 26413911

IUPAC(E)-3-(2-bromophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)/C=C/c1ccccc1Br
InChIInChI=1S/C23H27BrN2O4/c1-3-29-21-16-20(26-11-13-28-14-12-26)22(30-4-2)15-19(21)25-23(27)10-9-17-7-5-6-8-18(17)24/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,25,27)/b10-9+
InChIKeyAHIKILLSHDYTAN-MDZDMXLPSA-N
MW475.38 g/mol
LogP4.74
Rot. Bonds8

About (E)-3-(2-bromophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide

(E)-3-(2-bromophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide (PubChem CID 26413911) has the molecular formula C23H27BrN2O4 and a molecular weight of 475.38 g/mol. Its IUPAC name is (E)-3-(2-bromophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-bromophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide
PubChem CID26413911
Molecular FormulaC23H27BrN2O4
Molecular Weight475.38 g/mol
Exact Mass474.12
IUPAC Name(E)-3-(2-bromophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)/C=C/c1ccccc1Br
InChIInChI=1S/C23H27BrN2O4/c1-3-29-21-16-20(26-11-13-28-14-12-26)22(30-4-2)15-19(21)25-23(27)10-9-17-7-5-6-8-18(17)24/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,25,27)/b10-9+
InChIKeyAHIKILLSHDYTAN-MDZDMXLPSA-N
XLogP4.74
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.38
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 5190970
3-(3,4-diethoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 78780835
3-(3-chloro-4,5-dimethoxyphenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide
CID 4579015
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide
CID 6155213
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 2439401
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-phenylpropanamide
CID 18209443
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enamide
CID 4655750
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)naphthalene-1-carboxamide
CID 9079458
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide
CID 9079407
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-phenoxypropanamide
CID 3450203
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 4800357
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 26689447

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-bromophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-bromophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide (CID 26413911) is (E)-3-(2-bromophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-bromophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-bromophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)/C=C/c1ccccc1Br.
What is the InChIKey of (E)-3-(2-bromophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide?
The InChIKey is AHIKILLSHDYTAN-MDZDMXLPSA-N. The full InChI is InChI=1S/C23H27BrN2O4/c1-3-29-21-16-20(26-11-13-28-14-12-26)22(30-4-2)15-19(21)25-23(27)10-9-17-7-5-6-8-18(17)24/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,25,27)/b10-9+.
What are the key properties of (E)-3-(2-bromophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide?
(E)-3-(2-bromophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide has a molecular weight of 475.38 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-bromophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide is sourced from PubChem (CID 26413911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).