N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide sulfate

C14H27N3O6S-2 — CID 23622619

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide sulfate
SMILESCC(C)N(CCNC(=O)CN1CCCC1=O)C(C)C.O=S(=O)([O-])[O-]
InChIInChI=1S/C14H27N3O2.H2O4S/c1-11(2)17(12(3)4)9-7-15-13(18)10-16-8-5-6-14(16)19;1-5(2,3)4/h11-12H,5-10H2,1-4H3,(H,15,18);(H2,1,2,3,4)/p-2
InChIKeyACSROKXFXFNERX-UHFFFAOYSA-L
MW365.45 g/mol
LogP-0.49
Rot. Bonds7

About N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide sulfate

N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide sulfate (PubChem CID 23622619) has the molecular formula C14H27N3O6S-2 and a molecular weight of 365.45 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide sulfate.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide sulfate
PubChem CID23622619
Molecular FormulaC14H27N3O6S-2
Molecular Weight365.45 g/mol
Exact Mass365.16
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide sulfate
SMILESCC(C)N(CCNC(=O)CN1CCCC1=O)C(C)C.O=S(=O)([O-])[O-]
InChIInChI=1S/C14H27N3O2.H2O4S/c1-11(2)17(12(3)4)9-7-15-13(18)10-16-8-5-6-14(16)19;1-5(2,3)4/h11-12H,5-10H2,1-4H3,(H,15,18);(H2,1,2,3,4)/p-2
InChIKeyACSROKXFXFNERX-UHFFFAOYSA-L
XLogP-0.49
TPSA132.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide;hydrochloride
CID 21327798
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide;3-phenoxypyridine;sulfuric acid
CID 67898460
N-[2-[di(propan-2-yl)amino]ethyl]-2-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]acetamide
CID 67942843
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-N-propan-2-ylacetamide
CID 3050861
2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-N-propylacetamide
CID 56810104
N-(4-hydroxybutyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 106843150
N-(3-methoxypropyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 94869868
N-(3-hydroxy-4-methoxybutyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 103876710
N-(2-hydroxyethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 43388932
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762
N-[(2R)-1-hydroxypropan-2-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 79027708

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide sulfate?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide sulfate (CID 23622619) is N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide sulfate.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide sulfate?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide sulfate is CC(C)N(CCNC(=O)CN1CCCC1=O)C(C)C.O=S(=O)([O-])[O-].
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide sulfate?
The InChIKey is ACSROKXFXFNERX-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H27N3O2.H2O4S/c1-11(2)17(12(3)4)9-7-15-13(18)10-16-8-5-6-14(16)19;1-5(2,3)4/h11-12H,5-10H2,1-4H3,(H,15,18);(H2,1,2,3,4)/p-2.
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide sulfate?
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide sulfate has a molecular weight of 365.45 g/mol, XLogP of -0.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide sulfate is sourced from PubChem (CID 23622619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).