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

C21H26N4O4 — CID 3205188

IUPACN'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(4-methylphenyl)-N-pyridin-2-ylbutanediamide
SMILESCOCCNC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc(C)cc1
InChIInChI=1S/C21H26N4O4/c1-16-6-8-17(9-7-16)25(15-20(27)23-13-14-29-2)21(28)11-10-19(26)24-18-5-3-4-12-22-18/h3-9,12H,10-11,13-15H2,1-2H3,(H,23,27)(H,22,24,26)
InChIKeyRSRKYWPBICFRFN-UHFFFAOYSA-N
MW398.46 g/mol
LogP1.90
Rot. Bonds10

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

N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(4-methylphenyl)-N-pyridin-2-ylbutanediamide (PubChem CID 3205188) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(4-methylphenyl)-N-pyridin-2-ylbutanediamide.

Molecular Properties

Compound NameN'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(4-methylphenyl)-N-pyridin-2-ylbutanediamide
PubChem CID3205188
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC NameN'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(4-methylphenyl)-N-pyridin-2-ylbutanediamide
SMILESCOCCNC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc(C)cc1
InChIInChI=1S/C21H26N4O4/c1-16-6-8-17(9-7-16)25(15-20(27)23-13-14-29-2)21(28)11-10-19(26)24-18-5-3-4-12-22-18/h3-9,12H,10-11,13-15H2,1-2H3,(H,23,27)(H,22,24,26)
InChIKeyRSRKYWPBICFRFN-UHFFFAOYSA-N
XLogP1.90
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-methoxyethylamino)-2-oxoethyl]-N'-(4-methylphenyl)-N-pyridin-2-ylbutanediamide?
The IUPAC name of N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(4-methylphenyl)-N-pyridin-2-ylbutanediamide (CID 3205188) is N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(4-methylphenyl)-N-pyridin-2-ylbutanediamide.
What is the SMILES notation for N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(4-methylphenyl)-N-pyridin-2-ylbutanediamide?
The canonical SMILES for N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(4-methylphenyl)-N-pyridin-2-ylbutanediamide is COCCNC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc(C)cc1.
What is the InChIKey of N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(4-methylphenyl)-N-pyridin-2-ylbutanediamide?
The InChIKey is RSRKYWPBICFRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-16-6-8-17(9-7-16)25(15-20(27)23-13-14-29-2)21(28)11-10-19(26)24-18-5-3-4-12-22-18/h3-9,12H,10-11,13-15H2,1-2H3,(H,23,27)(H,22,24,26).
What are the key properties of N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(4-methylphenyl)-N-pyridin-2-ylbutanediamide?
N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(4-methylphenyl)-N-pyridin-2-ylbutanediamide has a molecular weight of 398.46 g/mol, XLogP of 1.90, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(4-methylphenyl)-N-pyridin-2-ylbutanediamide is sourced from PubChem (CID 3205188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).