N-[(3S,4S)-1-ethyl-4-hydroxypyrrolidin-3-yl]-N-methylbenzamide;hydrochloride

C14H21ClN2O2 — CID 70564910

IUPACN-[(3S,4S)-1-ethyl-4-hydroxypyrrolidin-3-yl]-N-methylbenzamide;hydrochloride
SMILESCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2)C1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-3-16-9-12(13(17)10-16)15(2)14(18)11-7-5-4-6-8-11;/h4-8,12-13,17H,3,9-10H2,1-2H3;1H/t12-,13-;/m0./s1
InChIKeyQRRDWLOHWSBFRW-QNTKWALQSA-N
MW284.79 g/mol
LogP1.25
Rot. Bonds3

About N-[(3S,4S)-1-ethyl-4-hydroxypyrrolidin-3-yl]-N-methylbenzamide;hydrochloride

N-[(3S,4S)-1-ethyl-4-hydroxypyrrolidin-3-yl]-N-methylbenzamide;hydrochloride (PubChem CID 70564910) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-[(3S,4S)-1-ethyl-4-hydroxypyrrolidin-3-yl]-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[(3S,4S)-1-ethyl-4-hydroxypyrrolidin-3-yl]-N-methylbenzamide;hydrochloride
PubChem CID70564910
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC NameN-[(3S,4S)-1-ethyl-4-hydroxypyrrolidin-3-yl]-N-methylbenzamide;hydrochloride
SMILESCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2)C1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-3-16-9-12(13(17)10-16)15(2)14(18)11-7-5-4-6-8-11;/h4-8,12-13,17H,3,9-10H2,1-2H3;1H/t12-,13-;/m0./s1
InChIKeyQRRDWLOHWSBFRW-QNTKWALQSA-N
XLogP1.25
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-but-2-enedioic acid;N-butyl-N-[(3R,4R)-1-ethyl-4-hydroxypyrrolidin-3-yl]benzamide
CID 88762037
1-N,3-N-bis(1-ethyl-3-methylpiperidin-4-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 166198840
N-[(3R,4R)-4-[benzoyl(methyl)amino]-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 100825376
4-chloro-N-cyclohexyl-N-[(3S,4S)-1-ethyl-4-hydroxypyrrolidin-3-yl]benzamide
CID 54532791
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N-methylbenzamide
CID 18381967
benzoyl(methyl)carbamic acid;hydrochloride
CID 70634624
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylbenzamide;hydrochloride
CID 71758248
N-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide
CID 67772910
N-[(3R)-3-[benzoyl(methyl)amino]cyclohexyl]-N-methylbenzamide
CID 143430707
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-phenylbenzamide
CID 27245407
(3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) benzoate
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N-methyl-N-(2-oxocyclohexyl)benzamide
CID 10977310

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1-ethyl-4-hydroxypyrrolidin-3-yl]-N-methylbenzamide;hydrochloride?
The IUPAC name of N-[(3S,4S)-1-ethyl-4-hydroxypyrrolidin-3-yl]-N-methylbenzamide;hydrochloride (CID 70564910) is N-[(3S,4S)-1-ethyl-4-hydroxypyrrolidin-3-yl]-N-methylbenzamide;hydrochloride.
What is the SMILES notation for N-[(3S,4S)-1-ethyl-4-hydroxypyrrolidin-3-yl]-N-methylbenzamide;hydrochloride?
The canonical SMILES for N-[(3S,4S)-1-ethyl-4-hydroxypyrrolidin-3-yl]-N-methylbenzamide;hydrochloride is CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2)C1.Cl.
What is the InChIKey of N-[(3S,4S)-1-ethyl-4-hydroxypyrrolidin-3-yl]-N-methylbenzamide;hydrochloride?
The InChIKey is QRRDWLOHWSBFRW-QNTKWALQSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-3-16-9-12(13(17)10-16)15(2)14(18)11-7-5-4-6-8-11;/h4-8,12-13,17H,3,9-10H2,1-2H3;1H/t12-,13-;/m0./s1.
What are the key properties of N-[(3S,4S)-1-ethyl-4-hydroxypyrrolidin-3-yl]-N-methylbenzamide;hydrochloride?
N-[(3S,4S)-1-ethyl-4-hydroxypyrrolidin-3-yl]-N-methylbenzamide;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1-ethyl-4-hydroxypyrrolidin-3-yl]-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 70564910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).