N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-naphthalen-1-yloxyacetamide

C17H20N2O3 — CID 120944120

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-naphthalen-1-yloxyacetamide
SMILESO=C(COc1cccc2ccccc12)NCC1CNCC1O
InChIInChI=1S/C17H20N2O3/c20-15-10-18-8-13(15)9-19-17(21)11-22-16-7-3-5-12-4-1-2-6-14(12)16/h1-7,13,15,18,20H,8-11H2,(H,19,21)
InChIKeyCRQKNRDSSPIGIX-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.92
Rot. Bonds5

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-naphthalen-1-yloxyacetamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-naphthalen-1-yloxyacetamide (PubChem CID 120944120) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-naphthalen-1-yloxyacetamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-naphthalen-1-yloxyacetamide
PubChem CID120944120
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-naphthalen-1-yloxyacetamide
SMILESO=C(COc1cccc2ccccc12)NCC1CNCC1O
InChIInChI=1S/C17H20N2O3/c20-15-10-18-8-13(15)9-19-17(21)11-22-16-7-3-5-12-4-1-2-6-14(12)16/h1-7,13,15,18,20H,8-11H2,(H,19,21)
InChIKeyCRQKNRDSSPIGIX-UHFFFAOYSA-N
XLogP0.92
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloronaphthalen-1-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120945408
2-(2-ethoxyphenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120948074
N-(cyclohexylmethyl)-2-naphthalen-1-yloxyacetamide
CID 2504525
2-(5-chloroquinolin-8-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120943944
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-methylphenoxy)acetamide
CID 120943410
2-(2,6-dimethoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120943517
2-naphthalen-1-yloxy-N-piperidin-3-ylacetamide;hydrochloride
CID 119426850
N-(4-hydroxycyclohexyl)-2-naphthalen-1-yloxyacetamide
CID 112788976
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 120946931
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120945888
2-naphthalen-1-yloxy-N-[2-[(2-naphthalen-1-yloxyacetyl)amino]cyclohexyl]acetamide
CID 5176839
4-naphthalen-1-yloxypyrrolidin-3-ol
CID 13192217

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-naphthalen-1-yloxyacetamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-naphthalen-1-yloxyacetamide (CID 120944120) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-naphthalen-1-yloxyacetamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-naphthalen-1-yloxyacetamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-naphthalen-1-yloxyacetamide is O=C(COc1cccc2ccccc12)NCC1CNCC1O.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-naphthalen-1-yloxyacetamide?
The InChIKey is CRQKNRDSSPIGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-15-10-18-8-13(15)9-19-17(21)11-22-16-7-3-5-12-4-1-2-6-14(12)16/h1-7,13,15,18,20H,8-11H2,(H,19,21).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-naphthalen-1-yloxyacetamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-naphthalen-1-yloxyacetamide has a molecular weight of 300.36 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-naphthalen-1-yloxyacetamide is sourced from PubChem (CID 120944120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).