N'-(2-methoxyethyl)-N'-[2-(2-methoxyethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-pyridin-2-ylbutanediamide

C24H32N4O5 — CID 3205186

IUPACN'-(2-methoxyethyl)-N'-[2-(2-methoxyethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
SMILESCOCCNC(=O)C(c1ccc(C)cc1)N(CCOC)C(=O)CCC(=O)Nc1ccccn1
InChIInChI=1S/C24H32N4O5/c1-18-7-9-19(10-8-18)23(24(31)26-14-16-32-2)28(15-17-33-3)22(30)12-11-21(29)27-20-6-4-5-13-25-20/h4-10,13,23H,11-12,14-17H2,1-3H3,(H,26,31)(H,25,27,29)
InChIKeyLPLCIUYDFPIIPG-UHFFFAOYSA-N
MW456.54 g/mol
LogP2.09
Rot. Bonds13

About N'-(2-methoxyethyl)-N'-[2-(2-methoxyethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-pyridin-2-ylbutanediamide

N'-(2-methoxyethyl)-N'-[2-(2-methoxyethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-pyridin-2-ylbutanediamide (PubChem CID 3205186) has the molecular formula C24H32N4O5 and a molecular weight of 456.54 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-[2-(2-methoxyethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-pyridin-2-ylbutanediamide.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-[2-(2-methoxyethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
PubChem CID3205186
Molecular FormulaC24H32N4O5
Molecular Weight456.54 g/mol
Exact Mass456.24
IUPAC NameN'-(2-methoxyethyl)-N'-[2-(2-methoxyethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
SMILESCOCCNC(=O)C(c1ccc(C)cc1)N(CCOC)C(=O)CCC(=O)Nc1ccccn1
InChIInChI=1S/C24H32N4O5/c1-18-7-9-19(10-8-18)23(24(31)26-14-16-32-2)28(15-17-33-3)22(30)12-11-21(29)27-20-6-4-5-13-25-20/h4-10,13,23H,11-12,14-17H2,1-3H3,(H,26,31)(H,25,27,29)
InChIKeyLPLCIUYDFPIIPG-UHFFFAOYSA-N
XLogP2.09
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-[2-(2-methoxyethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The IUPAC name of N'-(2-methoxyethyl)-N'-[2-(2-methoxyethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-pyridin-2-ylbutanediamide (CID 3205186) is N'-(2-methoxyethyl)-N'-[2-(2-methoxyethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-pyridin-2-ylbutanediamide.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-[2-(2-methoxyethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The canonical SMILES for N'-(2-methoxyethyl)-N'-[2-(2-methoxyethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-pyridin-2-ylbutanediamide is COCCNC(=O)C(c1ccc(C)cc1)N(CCOC)C(=O)CCC(=O)Nc1ccccn1.
What is the InChIKey of N'-(2-methoxyethyl)-N'-[2-(2-methoxyethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The InChIKey is LPLCIUYDFPIIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O5/c1-18-7-9-19(10-8-18)23(24(31)26-14-16-32-2)28(15-17-33-3)22(30)12-11-21(29)27-20-6-4-5-13-25-20/h4-10,13,23H,11-12,14-17H2,1-3H3,(H,26,31)(H,25,27,29).
What are the key properties of N'-(2-methoxyethyl)-N'-[2-(2-methoxyethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
N'-(2-methoxyethyl)-N'-[2-(2-methoxyethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-pyridin-2-ylbutanediamide has a molecular weight of 456.54 g/mol, XLogP of 2.09, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-[2-(2-methoxyethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-pyridin-2-ylbutanediamide is sourced from PubChem (CID 3205186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).