N-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]acetamide chloride

C15H22ClN2O3- — CID 46863837

IUPACN-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]acetamide chloride
SMILESCC(=O)Nc1ccc(OCC(O)CN2CCCC2)cc1.[Cl-]
InChIInChI=1S/C15H22N2O3.ClH/c1-12(18)16-13-4-6-15(7-5-13)20-11-14(19)10-17-8-2-3-9-17;/h4-7,14,19H,2-3,8-11H2,1H3,(H,16,18);1H/p-1
InChIKeyGSUSSUVIBDEZGM-UHFFFAOYSA-M
MW313.81 g/mol
LogP-1.52
Rot. Bonds6

About N-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]acetamide chloride

N-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]acetamide chloride (PubChem CID 46863837) has the molecular formula C15H22ClN2O3- and a molecular weight of 313.81 g/mol. Its IUPAC name is N-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]acetamide chloride.

Molecular Properties

Compound NameN-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]acetamide chloride
PubChem CID46863837
Molecular FormulaC15H22ClN2O3-
Molecular Weight313.81 g/mol
Exact Mass313.13
IUPAC NameN-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]acetamide chloride
SMILESCC(=O)Nc1ccc(OCC(O)CN2CCCC2)cc1.[Cl-]
InChIInChI=1S/C15H22N2O3.ClH/c1-12(18)16-13-4-6-15(7-5-13)20-11-14(19)10-17-8-2-3-9-17;/h4-7,14,19H,2-3,8-11H2,1H3,(H,16,18);1H/p-1
InChIKeyGSUSSUVIBDEZGM-UHFFFAOYSA-M
XLogP-1.52
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 5-1.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenyl]acetamide
CID 2962057
N-[4-[(2S)-2-hydroxy-3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]acetamide
CID 51422944
ethyl 4-[(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]piperazine-1-carboxylate
CID 7126214
ethyl 4-[3-(4-acetamidophenoxy)-2-hydroxypropyl]piperazine-1-carboxylate;hydrochloride
CID 44891568
N-[4-[(2S)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 51422964
1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone;hydrochloride
CID 16806994
N-[4-[(2R)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 36946736
1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3145443
N-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 55680044
1-(4-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 21237689
N-[4-[3-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 2962059
1-(4-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53352692

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]acetamide chloride?
The IUPAC name of N-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]acetamide chloride (CID 46863837) is N-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]acetamide chloride.
What is the SMILES notation for N-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]acetamide chloride?
The canonical SMILES for N-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]acetamide chloride is CC(=O)Nc1ccc(OCC(O)CN2CCCC2)cc1.[Cl-].
What is the InChIKey of N-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]acetamide chloride?
The InChIKey is GSUSSUVIBDEZGM-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-12(18)16-13-4-6-15(7-5-13)20-11-14(19)10-17-8-2-3-9-17;/h4-7,14,19H,2-3,8-11H2,1H3,(H,16,18);1H/p-1.
What are the key properties of N-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]acetamide chloride?
N-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]acetamide chloride has a molecular weight of 313.81 g/mol, XLogP of -1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]acetamide chloride is sourced from PubChem (CID 46863837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).