(E)-N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)prop-2-enamide

C23H22N2O4 — CID 46638145

IUPAC(E)-N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)N(CC(=O)Nc1ccccc1)Cc1ccco1
InChIInChI=1S/C23H22N2O4/c1-28-21-12-6-5-8-18(21)13-14-23(27)25(16-20-11-7-15-29-20)17-22(26)24-19-9-3-2-4-10-19/h2-15H,16-17H2,1H3,(H,24,26)/b14-13+
InChIKeyAEMSZBBDDAJGSM-BUHFOSPRSA-N
MW390.44 g/mol
LogP3.97
Rot. Bonds8

About (E)-N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)prop-2-enamide

(E)-N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 46638145) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is (E)-N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID46638145
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name(E)-N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)N(CC(=O)Nc1ccccc1)Cc1ccco1
InChIInChI=1S/C23H22N2O4/c1-28-21-12-6-5-8-18(21)13-14-23(27)25(16-20-11-7-15-29-20)17-22(26)24-19-9-3-2-4-10-19/h2-15H,16-17H2,1H3,(H,24,26)/b14-13+
InChIKeyAEMSZBBDDAJGSM-BUHFOSPRSA-N
XLogP3.97
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.97
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)-N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 24518009
(E)-N-(2-anilino-2-oxoethyl)-3-(5-bromo-2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 24518032
N-[2-[furan-2-ylmethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 9438050
2-[(2-anilino-2-oxoethyl)-[(2-methoxyphenyl)methyl]amino]-N-phenylacetamide
CID 4260439
ethyl N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]carbamate
CID 9438034
N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-4-phenylbenzamide
CID 18291878
N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 18098359
2-[acetyl(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide
CID 113161076
N-(2-anilino-2-oxoethyl)-5-bromo-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 18098352
N-(2-anilino-2-oxoethyl)-2,2-dichloro-N-(furan-2-ylmethyl)-1-methylcyclopropane-1-carboxamide
CID 42920707
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate
CID 3439565
(E)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 17109155

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)prop-2-enamide (CID 46638145) is (E)-N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1/C=C/C(=O)N(CC(=O)Nc1ccccc1)Cc1ccco1.
What is the InChIKey of (E)-N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is AEMSZBBDDAJGSM-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-28-21-12-6-5-8-18(21)13-14-23(27)25(16-20-11-7-15-29-20)17-22(26)24-19-9-3-2-4-10-19/h2-15H,16-17H2,1H3,(H,24,26)/b14-13+.
What are the key properties of (E)-N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)prop-2-enamide?
(E)-N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 390.44 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 46638145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).