2-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C19H29N3O2 — CID 124778955

IUPAC2-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCN(C)c1cccc([C@H]2CCCN2CC(=O)NC[C@H]2CCCO2)c1
InChIInChI=1S/C19H29N3O2/c1-21(2)16-7-3-6-15(12-16)18-9-4-10-22(18)14-19(23)20-13-17-8-5-11-24-17/h3,6-7,12,17-18H,4-5,8-11,13-14H2,1-2H3,(H,20,23)/t17-,18-/m1/s1
InChIKeyDEMHJDFJHOYJOK-QZTJIDSGSA-N
MW331.46 g/mol
LogP2.18
Rot. Bonds6

About 2-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 124778955) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID124778955
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCN(C)c1cccc([C@H]2CCCN2CC(=O)NC[C@H]2CCCO2)c1
InChIInChI=1S/C19H29N3O2/c1-21(2)16-7-3-6-15(12-16)18-9-4-10-22(18)14-19(23)20-13-17-8-5-11-24-17/h3,6-7,12,17-18H,4-5,8-11,13-14H2,1-2H3,(H,20,23)/t17-,18-/m1/s1
InChIKeyDEMHJDFJHOYJOK-QZTJIDSGSA-N
XLogP2.18
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111488930
N-[[(2S)-oxolan-2-yl]methyl]-2-[(7S)-5-oxo-7-phenyl-1,4-diazepan-1-yl]acetamide
CID 97081488
N-[[(2S)-oxolan-2-yl]methyl]-2-[(7R)-5-oxo-7-phenyl-1,4-diazepan-1-yl]acetamide
CID 97081489
N-[[(2R)-oxolan-2-yl]methyl]-2-[(7R)-5-oxo-7-phenyl-1,4-diazepan-1-yl]acetamide
CID 124761822
2-[2-(2-fluorophenyl)azetidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 71862821
2-(2-methyl-5-phenylmorpholin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 146129636
2-[(2S)-2-methylpiperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 51980847
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 62016098
2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 39719201
2-[(2S,5R)-5-methyl-2-phenylmorpholin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124776476
N,N-dimethyl-3-[(oxolan-2-ylmethylamino)methyl]aniline
CID 54884287
3-(dimethylamino)-N-[2-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 94022695

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 124778955) is 2-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is CN(C)c1cccc([C@H]2CCCN2CC(=O)NC[C@H]2CCCO2)c1.
What is the InChIKey of 2-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is DEMHJDFJHOYJOK-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-21(2)16-7-3-6-15(12-16)18-9-4-10-22(18)14-19(23)20-13-17-8-5-11-24-17/h3,6-7,12,17-18H,4-5,8-11,13-14H2,1-2H3,(H,20,23)/t17-,18-/m1/s1.
What are the key properties of 2-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 331.46 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 124778955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).