N'-(2,4-dimethoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide

C22H28N4O6 — CID 3846179

IUPACN'-(2,4-dimethoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
SMILESCOCCNC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc(OC)cc1OC
InChIInChI=1S/C22H28N4O6/c1-30-13-12-24-21(28)15-26(17-8-7-16(31-2)14-18(17)32-3)22(29)10-9-20(27)25-19-6-4-5-11-23-19/h4-8,11,14H,9-10,12-13,15H2,1-3H3,(H,24,28)(H,23,25,27)
InChIKeyDZJKNZMNSDQBLS-UHFFFAOYSA-N
MW444.49 g/mol
LogP1.61
Rot. Bonds12

About N'-(2,4-dimethoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide

N'-(2,4-dimethoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide (PubChem CID 3846179) has the molecular formula C22H28N4O6 and a molecular weight of 444.49 g/mol. Its IUPAC name is N'-(2,4-dimethoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide.

Molecular Properties

Compound NameN'-(2,4-dimethoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
PubChem CID3846179
Molecular FormulaC22H28N4O6
Molecular Weight444.49 g/mol
Exact Mass444.20
IUPAC NameN'-(2,4-dimethoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
SMILESCOCCNC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc(OC)cc1OC
InChIInChI=1S/C22H28N4O6/c1-30-13-12-24-21(28)15-26(17-8-7-16(31-2)14-18(17)32-3)22(29)10-9-20(27)25-19-6-4-5-11-23-19/h4-8,11,14H,9-10,12-13,15H2,1-3H3,(H,24,28)(H,23,25,27)
InChIKeyDZJKNZMNSDQBLS-UHFFFAOYSA-N
XLogP1.61
TPSA119.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-ethylphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
CID 3205189
N'-(2-methoxyphenyl)-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide
CID 648577
N'-(2-fluorophenyl)-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide
CID 3204880
N'-[(1R)-1-(4-ethoxyphenyl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide
CID 40901811
N'-[2-(benzylamino)-2-oxoethyl]-N'-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbutanediamide
CID 3204818
N'-(2,4-dimethoxyphenyl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 3205572
N'-(3,5-dimethylphenyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide
CID 3204774
N-(2-methoxyethyl)-3-(pyridin-2-ylamino)propanamide
CID 47371043
N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N'-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbutanediamide
CID 3204846
N'-(2-ethoxyphenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide
CID 655529
N'-(4-fluorophenyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
CID 3205158
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(2-phenoxyethyl)acetamide
CID 5234428

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The IUPAC name of N'-(2,4-dimethoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide (CID 3846179) is N'-(2,4-dimethoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide.
What is the SMILES notation for N'-(2,4-dimethoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The canonical SMILES for N'-(2,4-dimethoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide is COCCNC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc(OC)cc1OC.
What is the InChIKey of N'-(2,4-dimethoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The InChIKey is DZJKNZMNSDQBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O6/c1-30-13-12-24-21(28)15-26(17-8-7-16(31-2)14-18(17)32-3)22(29)10-9-20(27)25-19-6-4-5-11-23-19/h4-8,11,14H,9-10,12-13,15H2,1-3H3,(H,24,28)(H,23,25,27).
What are the key properties of N'-(2,4-dimethoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
N'-(2,4-dimethoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide has a molecular weight of 444.49 g/mol, XLogP of 1.61, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide is sourced from PubChem (CID 3846179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).