N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride

C13H19ClN2O2 — CID 120945888

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
SMILESCl.O=C(Cc1ccccc1)NCC1CNCC1O
InChIInChI=1S/C13H18N2O2.ClH/c16-12-9-14-7-11(12)8-15-13(17)6-10-4-2-1-3-5-10;/h1-5,11-12,14,16H,6-9H2,(H,15,17);1H
InChIKeyMWNYMGIINHLAPS-UHFFFAOYSA-N
MW270.76 g/mol
LogP0.35
Rot. Bonds4

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride (PubChem CID 120945888) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
PubChem CID120945888
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
SMILESCl.O=C(Cc1ccccc1)NCC1CNCC1O
InChIInChI=1S/C13H18N2O2.ClH/c16-12-9-14-7-11(12)8-15-13(17)6-10-4-2-1-3-5-10;/h1-5,11-12,14,16H,6-9H2,(H,15,17);1H
InChIKeyMWNYMGIINHLAPS-UHFFFAOYSA-N
XLogP0.35
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride
CID 120944089
2-(dibenzylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride
CID 120948938
2-(2-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120946157
2-(4-benzylpiperazin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride
CID 120946032
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 120945181
2-(2,6-dichlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120944560
2-(2,6-dimethoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120943517
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120944095
N-[3-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-oxo-1-phenylpropyl]benzamide;hydrochloride
CID 120945393
2-(2,5-difluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120945363
1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 120947067
N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-2-carboxamide;dihydrochloride
CID 120946232

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride (CID 120945888) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride is Cl.O=C(Cc1ccccc1)NCC1CNCC1O.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride?
The InChIKey is MWNYMGIINHLAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.ClH/c16-12-9-14-7-11(12)8-15-13(17)6-10-4-2-1-3-5-10;/h1-5,11-12,14,16H,6-9H2,(H,15,17);1H.
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 120945888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).