N'-(3-acetylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide

C23H28N4O6 — CID 648712

IUPACN'-(3-acetylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide
SMILESCC(=O)c1cccc(N(CC(=O)NCC2CCCO2)C(=O)CCC(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C23H28N4O6/c1-15-11-20(26-33-15)25-21(29)8-9-23(31)27(18-6-3-5-17(12-18)16(2)28)14-22(30)24-13-19-7-4-10-32-19/h3,5-6,11-12,19H,4,7-10,13-14H2,1-2H3,(H,24,30)(H,25,26,29)
InChIKeyHMBPILWBPWGBMK-UHFFFAOYSA-N
MW456.50 g/mol
LogP2.23
Rot. Bonds10

About N'-(3-acetylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide

N'-(3-acetylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide (PubChem CID 648712) has the molecular formula C23H28N4O6 and a molecular weight of 456.50 g/mol. Its IUPAC name is N'-(3-acetylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide.

Molecular Properties

Compound NameN'-(3-acetylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide
PubChem CID648712
Molecular FormulaC23H28N4O6
Molecular Weight456.50 g/mol
Exact Mass456.20
IUPAC NameN'-(3-acetylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide
SMILESCC(=O)c1cccc(N(CC(=O)NCC2CCCO2)C(=O)CCC(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C23H28N4O6/c1-15-11-20(26-33-15)25-21(29)8-9-23(31)27(18-6-3-5-17(12-18)16(2)28)14-22(30)24-13-19-7-4-10-32-19/h3,5-6,11-12,19H,4,7-10,13-14H2,1-2H3,(H,24,30)(H,25,26,29)
InChIKeyHMBPILWBPWGBMK-UHFFFAOYSA-N
XLogP2.23
TPSA130.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N'-(3-acetylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide with MolForge

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Related Compounds

1-((5-Methylisoxazol-3(2H)-ylidene)amino)-1-oxobutan-2-yl 2-benzamido-2-phenylacetate
CID 2916405
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CID 645903
N-(2,4-Dimethyl-phenyl)-N-[(2-methoxy-ethylcarbamoyl)-methyl]-N'-(5-methyl-isoxazol-3-yl)-succinamide
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N-(Cyclohexylcarbamoyl-phenyl-methyl)-N-furan-2-ylmethyl-N'-(5-methyl-isoxazol-3-yl)-succinamide
CID 3206377
N-Butyl-N-[cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl]-N'-(5-methyl-isoxazol-3-yl)-succinamide
CID 3210675
N-(Cyclopentylcarbamoyl-phenyl-methyl)-N-(4-fluoro-phenyl)-N'-(5-methyl-isoxazol-3-yl)-succinamide
CID 3210703
N-(Cyclopentylcarbamoyl-phenyl-methyl)-N'-(5-methyl-isoxazol-3-yl)-N-phenyl-succinamide
CID 3210707
N-(Cyclopentylcarbamoyl-phenyl-methyl)-N'-(5-methyl-isoxazol-3-yl)-N-o-tolyl-succinamide
CID 3210708
N-(Cyclopentylcarbamoyl-phenyl-methyl)-N'-(5-methyl-isoxazol-3-yl)-N-m-tolyl-succinamide
CID 3210709
N-(Cyclopentylcarbamoyl-o-tolyl-methyl)-N-(3-methyl-butyl)-N'-(5-methyl-isoxazol-3-yl)-succinamide
CID 3210713
N-(Cyclopentylcarbamoyl-p-tolyl-methyl)-N-(2-methoxy-ethyl)-N'-(5-methyl-isoxazol-3-yl)-succinamide
CID 3210725
N-Cyclopentylcarbamoylmethyl-N'-(5-methyl-isoxazol-3-yl)-N-m-tolyl-succinamide
CID 3210784

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide?
The IUPAC name of N'-(3-acetylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide (CID 648712) is N'-(3-acetylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide.
What is the SMILES notation for N'-(3-acetylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide?
The canonical SMILES for N'-(3-acetylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide is CC(=O)c1cccc(N(CC(=O)NCC2CCCO2)C(=O)CCC(=O)Nc2cc(C)on2)c1.
What is the InChIKey of N'-(3-acetylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide?
The InChIKey is HMBPILWBPWGBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O6/c1-15-11-20(26-33-15)25-21(29)8-9-23(31)27(18-6-3-5-17(12-18)16(2)28)14-22(30)24-13-19-7-4-10-32-19/h3,5-6,11-12,19H,4,7-10,13-14H2,1-2H3,(H,24,30)(H,25,26,29).
What are the key properties of N'-(3-acetylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide?
N'-(3-acetylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide has a molecular weight of 456.50 g/mol, XLogP of 2.23, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-acetylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide is sourced from PubChem (CID 648712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).