N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylbutanediamide

C19H28N4O5 — CID 645482

IUPACN'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylbutanediamide
SMILESCOCCNC(=O)CN(CC1CCCO1)C(=O)CCC(=O)Nc1ccccn1
InChIInChI=1S/C19H28N4O5/c1-27-12-10-21-18(25)14-23(13-15-5-4-11-28-15)19(26)8-7-17(24)22-16-6-2-3-9-20-16/h2-3,6,9,15H,4-5,7-8,10-14H2,1H3,(H,21,25)(H,20,22,24)
InChIKeyKTCVBLHCGVCKDG-UHFFFAOYSA-N
MW392.46 g/mol
LogP0.57
Rot. Bonds11

About N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylbutanediamide

N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylbutanediamide (PubChem CID 645482) has the molecular formula C19H28N4O5 and a molecular weight of 392.46 g/mol. Its IUPAC name is N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylbutanediamide.

Molecular Properties

Compound NameN'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylbutanediamide
PubChem CID645482
Molecular FormulaC19H28N4O5
Molecular Weight392.46 g/mol
Exact Mass392.21
IUPAC NameN'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylbutanediamide
SMILESCOCCNC(=O)CN(CC1CCCO1)C(=O)CCC(=O)Nc1ccccn1
InChIInChI=1S/C19H28N4O5/c1-27-12-10-21-18(25)14-23(13-15-5-4-11-28-15)19(26)8-7-17(24)22-16-6-2-3-9-20-16/h2-3,6,9,15H,4-5,7-8,10-14H2,1H3,(H,21,25)(H,20,22,24)
InChIKeyKTCVBLHCGVCKDG-UHFFFAOYSA-N
XLogP0.57
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 50.57
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-(2-methoxyethylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylbutanediamide?
The IUPAC name of N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylbutanediamide (CID 645482) is N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylbutanediamide.
What is the SMILES notation for N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylbutanediamide?
The canonical SMILES for N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylbutanediamide is COCCNC(=O)CN(CC1CCCO1)C(=O)CCC(=O)Nc1ccccn1.
What is the InChIKey of N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylbutanediamide?
The InChIKey is KTCVBLHCGVCKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O5/c1-27-12-10-21-18(25)14-23(13-15-5-4-11-28-15)19(26)8-7-17(24)22-16-6-2-3-9-20-16/h2-3,6,9,15H,4-5,7-8,10-14H2,1H3,(H,21,25)(H,20,22,24).
What are the key properties of N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylbutanediamide?
N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylbutanediamide has a molecular weight of 392.46 g/mol, XLogP of 0.57, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylbutanediamide is sourced from PubChem (CID 645482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).