N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide

C21H26N4O4 — CID 650893

IUPACN'-[2-(benzylamino)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide
SMILESCOCCN(CC(=O)NCc1ccccc1)C(=O)CCC(=O)Nc1ccccn1
InChIInChI=1S/C21H26N4O4/c1-29-14-13-25(16-20(27)23-15-17-7-3-2-4-8-17)21(28)11-10-19(26)24-18-9-5-6-12-22-18/h2-9,12H,10-11,13-16H2,1H3,(H,23,27)(H,22,24,26)
InChIKeyQFJUOOMCUBVRIC-UHFFFAOYSA-N
MW398.46 g/mol
LogP1.59
Rot. Bonds11

About N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide

N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide (PubChem CID 650893) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide.

Molecular Properties

Compound NameN'-[2-(benzylamino)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide
PubChem CID650893
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC NameN'-[2-(benzylamino)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide
SMILESCOCCN(CC(=O)NCc1ccccc1)C(=O)CCC(=O)Nc1ccccn1
InChIInChI=1S/C21H26N4O4/c1-29-14-13-25(16-20(27)23-15-17-7-3-2-4-8-17)21(28)11-10-19(26)24-18-9-5-6-12-22-18/h2-9,12H,10-11,13-16H2,1H3,(H,23,27)(H,22,24,26)
InChIKeyQFJUOOMCUBVRIC-UHFFFAOYSA-N
XLogP1.59
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide?
The IUPAC name of N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide (CID 650893) is N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide.
What is the SMILES notation for N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide?
The canonical SMILES for N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide is COCCN(CC(=O)NCc1ccccc1)C(=O)CCC(=O)Nc1ccccn1.
What is the InChIKey of N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide?
The InChIKey is QFJUOOMCUBVRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-29-14-13-25(16-20(27)23-15-17-7-3-2-4-8-17)21(28)11-10-19(26)24-18-9-5-6-12-22-18/h2-9,12H,10-11,13-16H2,1H3,(H,23,27)(H,22,24,26).
What are the key properties of N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide?
N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide has a molecular weight of 398.46 g/mol, XLogP of 1.59, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide is sourced from PubChem (CID 650893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).