N-cyclobutyl-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide

C14H21N3O4S — CID 167260999

IUPACN-cyclobutyl-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NCCN1C(=O)CSC1=O)C(=O)NC1CCC1
InChIInChI=1S/C14H21N3O4S/c1-14(2,12(20)16-9-4-3-5-9)11(19)15-6-7-17-10(18)8-22-13(17)21/h9H,3-8H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyJZJAPPNGAWACCA-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.49
Rot. Bonds6

About N-cyclobutyl-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide

N-cyclobutyl-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide (PubChem CID 167260999) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-cyclobutyl-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-cyclobutyl-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide
PubChem CID167260999
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC NameN-cyclobutyl-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NCCN1C(=O)CSC1=O)C(=O)NC1CCC1
InChIInChI=1S/C14H21N3O4S/c1-14(2,12(20)16-9-4-3-5-9)11(19)15-6-7-17-10(18)8-22-13(17)21/h9H,3-8H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyJZJAPPNGAWACCA-UHFFFAOYSA-N
XLogP0.49
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-(cyclobutylmethyl)-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide
CID 139517011
N-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propyl]-N'-(3-methylpentan-2-yl)propanediamide
CID 139517089
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N',2,2-trimethylpropanediamide
CID 166506431
2-[2-(cyclobutylamino)-2-oxoethyl]sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 167260940
N-cyclobutyl-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylcarbamoylamino]propanamide
CID 167261004
N-cyclopentyl-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide
CID 167261140
1-N'-cyclobutyl-1-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclopropane-1,1-dicarboxamide
CID 167261232
N-[3-(cyclobutylamino)-3-oxopropyl]-4-(2,4-dioxo-1,3-thiazolidin-3-yl)butanamide
CID 167261345
1-N'-cyclobutyl-1-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclobutane-1,1-dicarboxamide
CID 167261478
N'-(cyclobutylmethyl)-N-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propyl]propanediamide
CID 167261498
N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-methylsulfanylpropanamide
CID 25297281
N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-methylsulfanylpropanamide
CID 25297284

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-cyclobutyl-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide (CID 167260999) is N-cyclobutyl-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-cyclobutyl-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-cyclobutyl-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide is CC(C)(C(=O)NCCN1C(=O)CSC1=O)C(=O)NC1CCC1.
What is the InChIKey of N-cyclobutyl-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide?
The InChIKey is JZJAPPNGAWACCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-14(2,12(20)16-9-4-3-5-9)11(19)15-6-7-17-10(18)8-22-13(17)21/h9H,3-8H2,1-2H3,(H,15,19)(H,16,20).
What are the key properties of N-cyclobutyl-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide?
N-cyclobutyl-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide has a molecular weight of 327.41 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 167260999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).