N-tert-butyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide

C13H26N2O2 — CID 62468848

IUPACN-tert-butyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCCC1CCCO
InChIInChI=1S/C13H26N2O2/c1-13(2,3)14-12(17)10-15-8-4-6-11(15)7-5-9-16/h11,16H,4-10H2,1-3H3,(H,14,17)
InChIKeyVOYXYRGVXOWXSB-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.14
Rot. Bonds5

About N-tert-butyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide

N-tert-butyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide (PubChem CID 62468848) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-tert-butyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
PubChem CID62468848
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-tert-butyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCCC1CCCO
InChIInChI=1S/C13H26N2O2/c1-13(2,3)14-12(17)10-15-8-4-6-11(15)7-5-9-16/h11,16H,4-10H2,1-3H3,(H,14,17)
InChIKeyVOYXYRGVXOWXSB-UHFFFAOYSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetamidoethyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 55076268
methyl 4-[[2-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]acetyl]amino]butanoate
CID 94449392
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 62469419
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 111123048
3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylpropanamide
CID 62468873
methyl 1-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62027276
N-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62467277
3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2,2-dimethylpropanal
CID 62478854
N-(4-amino-2-methylphenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62467867
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110918990
2-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 95347315

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide (CID 62468848) is N-tert-butyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide is CC(C)(C)NC(=O)CN1CCCC1CCCO.
What is the InChIKey of N-tert-butyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide?
The InChIKey is VOYXYRGVXOWXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,3)14-12(17)10-15-8-4-6-11(15)7-5-9-16/h11,16H,4-10H2,1-3H3,(H,14,17).
What are the key properties of N-tert-butyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide?
N-tert-butyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide has a molecular weight of 242.36 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 62468848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).