N-[[(2R)-1-(2-hydroxyacetyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C20H28N2O3 — CID 166384219

IUPACN-[[(2R)-1-(2-hydroxyacetyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCN(C[C@H]1CCCN1C(=O)CO)C(=O)CC1CCCc2ccccc21
InChIInChI=1S/C20H28N2O3/c1-21(13-17-9-5-11-22(17)20(25)14-23)19(24)12-16-8-4-7-15-6-2-3-10-18(15)16/h2-3,6,10,16-17,23H,4-5,7-9,11-14H2,1H3/t16?,17-/m1/s1
InChIKeyFHBCENSXNYPWSA-ZYMOGRSISA-N
MW344.46 g/mol
LogP1.94
Rot. Bonds5

About N-[[(2R)-1-(2-hydroxyacetyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

N-[[(2R)-1-(2-hydroxyacetyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 166384219) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[[(2R)-1-(2-hydroxyacetyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN-[[(2R)-1-(2-hydroxyacetyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID166384219
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC NameN-[[(2R)-1-(2-hydroxyacetyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCN(C[C@H]1CCCN1C(=O)CO)C(=O)CC1CCCc2ccccc21
InChIInChI=1S/C20H28N2O3/c1-21(13-17-9-5-11-22(17)20(25)14-23)19(24)12-16-8-4-7-15-6-2-3-10-18(15)16/h2-3,6,10,16-17,23H,4-5,7-9,11-14H2,1H3/t16?,17-/m1/s1
InChIKeyFHBCENSXNYPWSA-ZYMOGRSISA-N
XLogP1.94
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[methyl-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]methyl]benzoic acid
CID 119226040
N-(3-hydroxybutyl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 111695405
N-(1-aminopropan-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 119583689
1-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]piperidine-4-carboxylic acid
CID 124702036
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidine-3-carboxylic acid
CID 84588598
(3S)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidine-3-carboxylic acid
CID 119174002
N-(1-aminopropan-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119583688
2-[1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178470
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 119411829
2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide
CID 97313173
1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 63772473
2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]ethanol
CID 63771637

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-(2-hydroxyacetyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of N-[[(2R)-1-(2-hydroxyacetyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 166384219) is N-[[(2R)-1-(2-hydroxyacetyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for N-[[(2R)-1-(2-hydroxyacetyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for N-[[(2R)-1-(2-hydroxyacetyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is CN(C[C@H]1CCCN1C(=O)CO)C(=O)CC1CCCc2ccccc21.
What is the InChIKey of N-[[(2R)-1-(2-hydroxyacetyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is FHBCENSXNYPWSA-ZYMOGRSISA-N. The full InChI is InChI=1S/C20H28N2O3/c1-21(13-17-9-5-11-22(17)20(25)14-23)19(24)12-16-8-4-7-15-6-2-3-10-18(15)16/h2-3,6,10,16-17,23H,4-5,7-9,11-14H2,1H3/t16?,17-/m1/s1.
What are the key properties of N-[[(2R)-1-(2-hydroxyacetyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
N-[[(2R)-1-(2-hydroxyacetyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 344.46 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-(2-hydroxyacetyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 166384219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).