N,N-dimethyl-2-[(2S)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]acetamide

C12H24N2O2 — CID 171413887

IUPACN,N-dimethyl-2-[(2S)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]acetamide
SMILESCC(C)OC[C@@H]1CCCN1CC(=O)N(C)C
InChIInChI=1S/C12H24N2O2/c1-10(2)16-9-11-6-5-7-14(11)8-12(15)13(3)4/h10-11H,5-9H2,1-4H3/t11-/m0/s1
InChIKeyGQKYEENFYQJYPI-NSHDSACASA-N
MW228.34 g/mol
LogP0.96
Rot. Bonds5

About N,N-dimethyl-2-[(2S)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]acetamide

N,N-dimethyl-2-[(2S)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]acetamide (PubChem CID 171413887) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2S)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2S)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]acetamide
PubChem CID171413887
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN,N-dimethyl-2-[(2S)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]acetamide
SMILESCC(C)OC[C@@H]1CCCN1CC(=O)N(C)C
InChIInChI=1S/C12H24N2O2/c1-10(2)16-9-11-6-5-7-14(11)8-12(15)13(3)4/h10-11H,5-9H2,1-4H3/t11-/m0/s1
InChIKeyGQKYEENFYQJYPI-NSHDSACASA-N
XLogP0.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79546567
2-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylacetamide
CID 116637269
N,N-dimethyl-2-(2-methylpyrrolidin-1-yl)acetamide
CID 130669974
2-[2-(3-methoxypropyl)piperidin-1-yl]-N,N-dimethylacetamide
CID 134711652
2-[2-(aminomethyl)pyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide;hydrochloride
CID 119926999
2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 43186999
N,N-dimethyl-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63847147
methyl 2-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-2-yl]acetate
CID 62027896
2-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid
CID 54899773
2-[2-(2-hydroxypropyl)azepan-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 114338856
1-[2-(dimethylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441016
N,N-dimethyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 86913220

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2S)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[(2S)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]acetamide (CID 171413887) is N,N-dimethyl-2-[(2S)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(2S)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(2S)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]acetamide is CC(C)OC[C@@H]1CCCN1CC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[(2S)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is GQKYEENFYQJYPI-NSHDSACASA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(2)16-9-11-6-5-7-14(11)8-12(15)13(3)4/h10-11H,5-9H2,1-4H3/t11-/m0/s1.
What are the key properties of N,N-dimethyl-2-[(2S)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]acetamide?
N,N-dimethyl-2-[(2S)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 228.34 g/mol, XLogP of 0.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2S)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 171413887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).