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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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).