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

C15H23N3O4S — CID 139517011

IUPACN-(cyclobutylmethyl)-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NCCN1C(=O)CSC1=O)C(=O)NCC1CCC1
InChIInChI=1S/C15H23N3O4S/c1-15(2,13(21)17-8-10-4-3-5-10)12(20)16-6-7-18-11(19)9-23-14(18)22/h10H,3-9H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyFAAHLJAWKJDKPB-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.74
Rot. Bonds7

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

N-(cyclobutylmethyl)-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide (PubChem CID 139517011) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide
PubChem CID139517011
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC NameN-(cyclobutylmethyl)-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NCCN1C(=O)CSC1=O)C(=O)NCC1CCC1
InChIInChI=1S/C15H23N3O4S/c1-15(2,13(21)17-8-10-4-3-5-10)12(20)16-6-7-18-11(19)9-23-14(18)22/h10H,3-9H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyFAAHLJAWKJDKPB-UHFFFAOYSA-N
XLogP0.74
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.74
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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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-(cyclobutylmethyl)-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide (CID 139517011) is N-(cyclobutylmethyl)-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-(cyclobutylmethyl)-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)NCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide?
The InChIKey is FAAHLJAWKJDKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-15(2,13(21)17-8-10-4-3-5-10)12(20)16-6-7-18-11(19)9-23-14(18)22/h10H,3-9H2,1-2H3,(H,16,20)(H,17,21).
What are the key properties of N-(cyclobutylmethyl)-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide?
N-(cyclobutylmethyl)-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide has a molecular weight of 341.43 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 139517011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).