N-(2-methoxyethyl)-2-[3-[3-[4-(2-methoxyethylamino)-1,6-dimethyl-2-oxo-3-pyridinyl]-3-oxoprop-1-enyl]phenoxy]acetamide

C24H31N3O6 — CID 67345511

IUPACN-(2-methoxyethyl)-2-[3-[3-[4-(2-methoxyethylamino)-1,6-dimethyl-2-oxo-3-pyridinyl]-3-oxoprop-1-enyl]phenoxy]acetamide
SMILESCOCCNC(=O)COc1cccc(C=CC(=O)c2c(NCCOC)cc(C)n(C)c2=O)c1
InChIInChI=1S/C24H31N3O6/c1-17-14-20(25-10-12-31-3)23(24(30)27(17)2)21(28)9-8-18-6-5-7-19(15-18)33-16-22(29)26-11-13-32-4/h5-9,14-15,25H,10-13,16H2,1-4H3,(H,26,29)
InChIKeyMOAPFQYQMLTKNK-UHFFFAOYSA-N
MW457.53 g/mol
LogP1.79
Rot. Bonds13

About N-(2-methoxyethyl)-2-[3-[3-[4-(2-methoxyethylamino)-1,6-dimethyl-2-oxo-3-pyridinyl]-3-oxoprop-1-enyl]phenoxy]acetamide

N-(2-methoxyethyl)-2-[3-[3-[4-(2-methoxyethylamino)-1,6-dimethyl-2-oxo-3-pyridinyl]-3-oxoprop-1-enyl]phenoxy]acetamide (PubChem CID 67345511) has the molecular formula C24H31N3O6 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[3-[3-[4-(2-methoxyethylamino)-1,6-dimethyl-2-oxo-3-pyridinyl]-3-oxoprop-1-enyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[3-[3-[4-(2-methoxyethylamino)-1,6-dimethyl-2-oxo-3-pyridinyl]-3-oxoprop-1-enyl]phenoxy]acetamide
PubChem CID67345511
Molecular FormulaC24H31N3O6
Molecular Weight457.53 g/mol
Exact Mass457.22
IUPAC NameN-(2-methoxyethyl)-2-[3-[3-[4-(2-methoxyethylamino)-1,6-dimethyl-2-oxo-3-pyridinyl]-3-oxoprop-1-enyl]phenoxy]acetamide
SMILESCOCCNC(=O)COc1cccc(C=CC(=O)c2c(NCCOC)cc(C)n(C)c2=O)c1
InChIInChI=1S/C24H31N3O6/c1-17-14-20(25-10-12-31-3)23(24(30)27(17)2)21(28)9-8-18-6-5-7-19(15-18)33-16-22(29)26-11-13-32-4/h5-9,14-15,25H,10-13,16H2,1-4H3,(H,26,29)
InChIKeyMOAPFQYQMLTKNK-UHFFFAOYSA-N
XLogP1.79
TPSA107.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[3-[3-[1,6-dimethyl-2-oxo-4-(prop-2-ynylamino)-3-pyridinyl]-3-oxoprop-1-enyl]phenoxy]acetate
CID 74019988
2-[3-[(E)-3-[4-(carboxymethoxy)-1,6-dimethyl-2-oxo-3-pyridinyl]-3-oxoprop-1-enyl]phenoxy]acetic acid
CID 23131771
[2-(2-methoxyethylamino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate
CID 71823245
2-(3-butoxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 4733178
2-(3-carbamothioylphenoxy)-N-(2-methoxyethyl)acetamide
CID 54956323
N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)acetamide
CID 8935101
N-(2-methoxyethyl)-2-[(2-naphthalen-2-yloxyacetyl)amino]acetamide
CID 24517119
N-(2-methoxyethyl)-2-[2-(3-methylphenoxy)ethylamino]acetamide
CID 54940682
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N'-[(Z)-[3-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methoxyethyl)oxamide
CID 126162951
N-[3-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide
CID 67345550
2-[3-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]phenoxy]acetamide
CID 135555991

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[3-[3-[4-(2-methoxyethylamino)-1,6-dimethyl-2-oxo-3-pyridinyl]-3-oxoprop-1-enyl]phenoxy]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[3-[3-[4-(2-methoxyethylamino)-1,6-dimethyl-2-oxo-3-pyridinyl]-3-oxoprop-1-enyl]phenoxy]acetamide (CID 67345511) is N-(2-methoxyethyl)-2-[3-[3-[4-(2-methoxyethylamino)-1,6-dimethyl-2-oxo-3-pyridinyl]-3-oxoprop-1-enyl]phenoxy]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[3-[3-[4-(2-methoxyethylamino)-1,6-dimethyl-2-oxo-3-pyridinyl]-3-oxoprop-1-enyl]phenoxy]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[3-[3-[4-(2-methoxyethylamino)-1,6-dimethyl-2-oxo-3-pyridinyl]-3-oxoprop-1-enyl]phenoxy]acetamide is COCCNC(=O)COc1cccc(C=CC(=O)c2c(NCCOC)cc(C)n(C)c2=O)c1.
What is the InChIKey of N-(2-methoxyethyl)-2-[3-[3-[4-(2-methoxyethylamino)-1,6-dimethyl-2-oxo-3-pyridinyl]-3-oxoprop-1-enyl]phenoxy]acetamide?
The InChIKey is MOAPFQYQMLTKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O6/c1-17-14-20(25-10-12-31-3)23(24(30)27(17)2)21(28)9-8-18-6-5-7-19(15-18)33-16-22(29)26-11-13-32-4/h5-9,14-15,25H,10-13,16H2,1-4H3,(H,26,29).
What are the key properties of N-(2-methoxyethyl)-2-[3-[3-[4-(2-methoxyethylamino)-1,6-dimethyl-2-oxo-3-pyridinyl]-3-oxoprop-1-enyl]phenoxy]acetamide?
N-(2-methoxyethyl)-2-[3-[3-[4-(2-methoxyethylamino)-1,6-dimethyl-2-oxo-3-pyridinyl]-3-oxoprop-1-enyl]phenoxy]acetamide has a molecular weight of 457.53 g/mol, XLogP of 1.79, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[3-[3-[4-(2-methoxyethylamino)-1,6-dimethyl-2-oxo-3-pyridinyl]-3-oxoprop-1-enyl]phenoxy]acetamide is sourced from PubChem (CID 67345511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).