N-[3-[(E)-3-(1,6-dimethyl-2,4-dioxo-3-pyridinyl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide

C19H20N2O5 — CID 11638988

IUPACN-[3-[(E)-3-(1,6-dimethyl-2,4-dioxo-3-pyridinyl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(/C=C/C(=O)C2C(=O)C=C(C)N(C)C2=O)c1
InChIInChI=1S/C19H20N2O5/c1-12-9-16(23)18(19(25)21(12)2)15(22)8-7-13-5-4-6-14(10-13)20-17(24)11-26-3/h4-10,18H,11H2,1-3H3,(H,20,24)/b8-7+
InChIKeyRIXPZTLIOGAJCY-BQYQJAHWSA-N
MW356.38 g/mol
LogP1.41
Rot. Bonds6

About N-[3-[(E)-3-(1,6-dimethyl-2,4-dioxo-3-pyridinyl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide

N-[3-[(E)-3-(1,6-dimethyl-2,4-dioxo-3-pyridinyl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide (PubChem CID 11638988) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[3-[(E)-3-(1,6-dimethyl-2,4-dioxo-3-pyridinyl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-[(E)-3-(1,6-dimethyl-2,4-dioxo-3-pyridinyl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide
PubChem CID11638988
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC NameN-[3-[(E)-3-(1,6-dimethyl-2,4-dioxo-3-pyridinyl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(/C=C/C(=O)C2C(=O)C=C(C)N(C)C2=O)c1
InChIInChI=1S/C19H20N2O5/c1-12-9-16(23)18(19(25)21(12)2)15(22)8-7-13-5-4-6-14(10-13)20-17(24)11-26-3/h4-10,18H,11H2,1-3H3,(H,20,24)/b8-7+
InChIKeyRIXPZTLIOGAJCY-BQYQJAHWSA-N
XLogP1.41
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(E)-3-(2,4-dioxo-1H-quinolin-3-yl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide
CID 11603276
2-methoxy-N-[3-[3-(2-methyl-1,1,4-trioxo-3H-1λ6,2-benzothiazin-3-yl)-3-oxoprop-1-enyl]phenyl]acetamide
CID 91539399
N-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-2-methoxyacetamide
CID 174721053
(E)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylphenyl)prop-2-enamide
CID 35334560
N-[3-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide
CID 67345550
2-chloro-N-[3-[(Z)-3-[(3S)-6-methyl-2,4-dioxopyran-3-yl]-3-oxoprop-1-enyl]phenyl]benzamide
CID 98679351
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
N-[3-(2-amino-1-methyl-5-oxo-4H-imidazol-4-yl)phenyl]-2-methoxyacetamide
CID 141178379
(E)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenylprop-2-enamide
CID 35332007
[2-(3-methylanilino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate
CID 71823238
3-[3-(propanoylamino)phenyl]prop-2-enoic acid
CID 76907771
2-methoxy-N-[3-[(E)-3-oxo-3-(2-oxo-4-piperidin-1-ylchromen-3-yl)prop-1-enyl]phenyl]acetamide
CID 23131884

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-3-(1,6-dimethyl-2,4-dioxo-3-pyridinyl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide?
The IUPAC name of N-[3-[(E)-3-(1,6-dimethyl-2,4-dioxo-3-pyridinyl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide (CID 11638988) is N-[3-[(E)-3-(1,6-dimethyl-2,4-dioxo-3-pyridinyl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-[(E)-3-(1,6-dimethyl-2,4-dioxo-3-pyridinyl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[3-[(E)-3-(1,6-dimethyl-2,4-dioxo-3-pyridinyl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide is COCC(=O)Nc1cccc(/C=C/C(=O)C2C(=O)C=C(C)N(C)C2=O)c1.
What is the InChIKey of N-[3-[(E)-3-(1,6-dimethyl-2,4-dioxo-3-pyridinyl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide?
The InChIKey is RIXPZTLIOGAJCY-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-12-9-16(23)18(19(25)21(12)2)15(22)8-7-13-5-4-6-14(10-13)20-17(24)11-26-3/h4-10,18H,11H2,1-3H3,(H,20,24)/b8-7+.
What are the key properties of N-[3-[(E)-3-(1,6-dimethyl-2,4-dioxo-3-pyridinyl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide?
N-[3-[(E)-3-(1,6-dimethyl-2,4-dioxo-3-pyridinyl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide has a molecular weight of 356.38 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-3-(1,6-dimethyl-2,4-dioxo-3-pyridinyl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide is sourced from PubChem (CID 11638988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).