N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)butanediamide

C27H30N4O4 — CID 3208417

IUPACN'-[2-(benzylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)butanediamide
SMILESCCOc1ccccc1N(CC(=O)NCc1ccccc1)C(=O)CCC(=O)Nc1cc(C)ccn1
InChIInChI=1S/C27H30N4O4/c1-3-35-23-12-8-7-11-22(23)31(19-26(33)29-18-21-9-5-4-6-10-21)27(34)14-13-25(32)30-24-17-20(2)15-16-28-24/h4-12,15-17H,3,13-14,18-19H2,1-2H3,(H,29,33)(H,28,30,32)
InChIKeyZLZOHJWLJJSBDG-UHFFFAOYSA-N
MW474.56 g/mol
LogP3.86
Rot. Bonds11

About N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)butanediamide

N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)butanediamide (PubChem CID 3208417) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)butanediamide.

Molecular Properties

Compound NameN'-[2-(benzylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)butanediamide
PubChem CID3208417
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC NameN'-[2-(benzylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)butanediamide
SMILESCCOc1ccccc1N(CC(=O)NCc1ccccc1)C(=O)CCC(=O)Nc1cc(C)ccn1
InChIInChI=1S/C27H30N4O4/c1-3-35-23-12-8-7-11-22(23)31(19-26(33)29-18-21-9-5-4-6-10-21)27(34)14-13-25(32)30-24-17-20(2)15-16-28-24/h4-12,15-17H,3,13-14,18-19H2,1-2H3,(H,29,33)(H,28,30,32)
InChIKeyZLZOHJWLJJSBDG-UHFFFAOYSA-N
XLogP3.86
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[2-(benzylamino)-2-oxoethyl]-N'-[(4-fluorophenyl)methyl]-N-(4-methyl-2-pyridinyl)butanediamide
CID 3208424
N'-(2-fluorophenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide
CID 3208402
N'-(4-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide
CID 3208392
N'-(2-methoxyphenyl)-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide
CID 648577
N'-(2-ethoxyphenyl)-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 3205332
N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N'-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)butanediamide
CID 3713804
N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylbutanediamide
CID 3204830
N'-(2-ethoxyphenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide
CID 655529
N'-(2-fluorophenyl)-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide
CID 3204880
N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 4232423
N'-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N'-(2,4-dimethylphenyl)-N-pyridin-2-ylbutanediamide
CID 3205241
N'-[2-(benzylamino)-2-oxoethyl]-N'-(4-ethoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide
CID 3205297

Frequently Asked Questions

What is the IUPAC name of N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)butanediamide?
The IUPAC name of N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)butanediamide (CID 3208417) is N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)butanediamide.
What is the SMILES notation for N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)butanediamide?
The canonical SMILES for N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)butanediamide is CCOc1ccccc1N(CC(=O)NCc1ccccc1)C(=O)CCC(=O)Nc1cc(C)ccn1.
What is the InChIKey of N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)butanediamide?
The InChIKey is ZLZOHJWLJJSBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-3-35-23-12-8-7-11-22(23)31(19-26(33)29-18-21-9-5-4-6-10-21)27(34)14-13-25(32)30-24-17-20(2)15-16-28-24/h4-12,15-17H,3,13-14,18-19H2,1-2H3,(H,29,33)(H,28,30,32).
What are the key properties of N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)butanediamide?
N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)butanediamide has a molecular weight of 474.56 g/mol, XLogP of 3.86, 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-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)butanediamide is sourced from PubChem (CID 3208417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).