(E)-3-[2-[2-[methoxy(methyl)amino]-2-oxoethoxy]phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide

C19H21N3O4 — CID 22087263

IUPAC(E)-3-[2-[2-[methoxy(methyl)amino]-2-oxoethoxy]phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
SMILESCON(C)C(=O)COc1ccccc1/C=C/C(=O)NCc1cccnc1
InChIInChI=1S/C19H21N3O4/c1-22(25-2)19(24)14-26-17-8-4-3-7-16(17)9-10-18(23)21-13-15-6-5-11-20-12-15/h3-12H,13-14H2,1-2H3,(H,21,23)/b10-9+
InChIKeyNMZKBUSGAKSAGN-MDZDMXLPSA-N
MW355.39 g/mol
LogP1.81
Rot. Bonds8

About (E)-3-[2-[2-[methoxy(methyl)amino]-2-oxoethoxy]phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide

(E)-3-[2-[2-[methoxy(methyl)amino]-2-oxoethoxy]phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide (PubChem CID 22087263) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is (E)-3-[2-[2-[methoxy(methyl)amino]-2-oxoethoxy]phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-[2-[methoxy(methyl)amino]-2-oxoethoxy]phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
PubChem CID22087263
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name(E)-3-[2-[2-[methoxy(methyl)amino]-2-oxoethoxy]phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
SMILESCON(C)C(=O)COc1ccccc1/C=C/C(=O)NCc1cccnc1
InChIInChI=1S/C19H21N3O4/c1-22(25-2)19(24)14-26-17-8-4-3-7-16(17)9-10-18(23)21-13-15-6-5-11-20-12-15/h3-12H,13-14H2,1-2H3,(H,21,23)/b10-9+
InChIKeyNMZKBUSGAKSAGN-MDZDMXLPSA-N
XLogP1.81
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 22087304
(E)-3-(2-cyanophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 37171992
N-benzyl-3-(2-methoxyphenyl)prop-2-enamide
CID 2927846
(E)-3-(2-nitrophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 890933
N-(pyridin-3-ylmethyl)hexa-2,4-dienamide
CID 71321108
(2E,4E)-N-(pyridin-3-ylmethyl)hexa-2,4-dienamide
CID 13405147
(E)-3-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 27396984
(E)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 790889
[2-[(E)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-enyl]-4-(2-phenylethoxy)phenyl]boronic acid
CID 58343949
(E)-3-(2-ethoxyphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]prop-2-enamide
CID 29304402
(E)-3-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 847396
(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide
CID 9480960

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-[2-[methoxy(methyl)amino]-2-oxoethoxy]phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-[2-[2-[methoxy(methyl)amino]-2-oxoethoxy]phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide (CID 22087263) is (E)-3-[2-[2-[methoxy(methyl)amino]-2-oxoethoxy]phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[2-[2-[methoxy(methyl)amino]-2-oxoethoxy]phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-[2-[2-[methoxy(methyl)amino]-2-oxoethoxy]phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide is CON(C)C(=O)COc1ccccc1/C=C/C(=O)NCc1cccnc1.
What is the InChIKey of (E)-3-[2-[2-[methoxy(methyl)amino]-2-oxoethoxy]phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide?
The InChIKey is NMZKBUSGAKSAGN-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-22(25-2)19(24)14-26-17-8-4-3-7-16(17)9-10-18(23)21-13-15-6-5-11-20-12-15/h3-12H,13-14H2,1-2H3,(H,21,23)/b10-9+.
What are the key properties of (E)-3-[2-[2-[methoxy(methyl)amino]-2-oxoethoxy]phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide?
(E)-3-[2-[2-[methoxy(methyl)amino]-2-oxoethoxy]phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide has a molecular weight of 355.39 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[2-[methoxy(methyl)amino]-2-oxoethoxy]phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide is sourced from PubChem (CID 22087263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).