N'-(2,3-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide

C28H32N4O3 — CID 3208386

IUPACN'-(2,3-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide
SMILESCc1ccnc(NC(=O)CCC(=O)N(CC(=O)NCCc2ccccc2)c2cccc(C)c2C)c1
InChIInChI=1S/C28H32N4O3/c1-20-14-16-29-25(18-20)31-26(33)12-13-28(35)32(24-11-7-8-21(2)22(24)3)19-27(34)30-17-15-23-9-5-4-6-10-23/h4-11,14,16,18H,12-13,15,17,19H2,1-3H3,(H,30,34)(H,29,31,33)
InChIKeyHVKGWLJSXUYVBP-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.12
Rot. Bonds10

About N'-(2,3-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide

N'-(2,3-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide (PubChem CID 3208386) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is N'-(2,3-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide.

Molecular Properties

Compound NameN'-(2,3-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide
PubChem CID3208386
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC NameN'-(2,3-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide
SMILESCc1ccnc(NC(=O)CCC(=O)N(CC(=O)NCCc2ccccc2)c2cccc(C)c2C)c1
InChIInChI=1S/C28H32N4O3/c1-20-14-16-29-25(18-20)31-26(33)12-13-28(35)32(24-11-7-8-21(2)22(24)3)19-27(34)30-17-15-23-9-5-4-6-10-23/h4-11,14,16,18H,12-13,15,17,19H2,1-3H3,(H,30,34)(H,29,31,33)
InChIKeyHVKGWLJSXUYVBP-UHFFFAOYSA-N
XLogP4.12
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N'-(2,3-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide with MolForge

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Related Compounds

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-(benzylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)butanediamide
CID 3208417
N'-(3,5-dimethylphenyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide
CID 3204774
N'-(2,4-dimethylphenyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 3866552
N'-[2-(benzylamino)-2-oxoethyl]-N'-[(4-fluorophenyl)methyl]-N-(4-methyl-2-pyridinyl)butanediamide
CID 3208424
N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 4232423
2-(N-acetyl-2,3-dimethylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113168862
N'-[(2-chlorophenyl)methyl]-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide
CID 3204785
N'-(2,4-dimethylphenyl)-N-(2-phenylethyl)butanediamide
CID 4524701
N'-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N'-(2,3-dimethylphenyl)-N-(1,3-thiazol-2-yl)butanediamide
CID 3205738
N'-(2-ethylphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
CID 3205189

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide?
The IUPAC name of N'-(2,3-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide (CID 3208386) is N'-(2,3-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide.
What is the SMILES notation for N'-(2,3-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide?
The canonical SMILES for N'-(2,3-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide is Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NCCc2ccccc2)c2cccc(C)c2C)c1.
What is the InChIKey of N'-(2,3-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide?
The InChIKey is HVKGWLJSXUYVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-20-14-16-29-25(18-20)31-26(33)12-13-28(35)32(24-11-7-8-21(2)22(24)3)19-27(34)30-17-15-23-9-5-4-6-10-23/h4-11,14,16,18H,12-13,15,17,19H2,1-3H3,(H,30,34)(H,29,31,33).
What are the key properties of N'-(2,3-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide?
N'-(2,3-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide has a molecular weight of 472.59 g/mol, XLogP of 4.12, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide is sourced from PubChem (CID 3208386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).