3-[5-[2-(2-hydroxyethylamino)-2-oxoethoxy]naphthalen-1-yl]-N-methylpropanamide

C18H22N2O4 — CID 54130436

IUPAC3-[5-[2-(2-hydroxyethylamino)-2-oxoethoxy]naphthalen-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCc1cccc2c(OCC(=O)NCCO)cccc12
InChIInChI=1S/C18H22N2O4/c1-19-17(22)9-8-13-4-2-6-15-14(13)5-3-7-16(15)24-12-18(23)20-10-11-21/h2-7,21H,8-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyNTYPYOPUGQPJLV-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.01
Rot. Bonds8

About 3-[5-[2-(2-hydroxyethylamino)-2-oxoethoxy]naphthalen-1-yl]-N-methylpropanamide

3-[5-[2-(2-hydroxyethylamino)-2-oxoethoxy]naphthalen-1-yl]-N-methylpropanamide (PubChem CID 54130436) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-[5-[2-(2-hydroxyethylamino)-2-oxoethoxy]naphthalen-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[5-[2-(2-hydroxyethylamino)-2-oxoethoxy]naphthalen-1-yl]-N-methylpropanamide
PubChem CID54130436
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name3-[5-[2-(2-hydroxyethylamino)-2-oxoethoxy]naphthalen-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCc1cccc2c(OCC(=O)NCCO)cccc12
InChIInChI=1S/C18H22N2O4/c1-19-17(22)9-8-13-4-2-6-15-14(13)5-3-7-16(15)24-12-18(23)20-10-11-21/h2-7,21H,8-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyNTYPYOPUGQPJLV-UHFFFAOYSA-N
XLogP1.01
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[3-(2,2-diphenylhydrazinyl)-3-oxopropyl]naphthalen-1-yl]oxyacetic acid
CID 15434956
methyl 3-[(2-naphthalen-1-yloxyacetyl)amino]propanoate
CID 26635464
N-methyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 43277188
2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-methylacetamide
CID 7293155
2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
2-(2,3-dimethoxyphenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 112978344
2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-methylacetamide
CID 112613129
2-[2-(methylaminomethyl)phenoxy]-N-propylacetamide
CID 43277187
N-methyl-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
CID 7293222
N-(2-hydroxyethyl)-2-(2-methoxyphenyl)acetamide
CID 43388864
N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]butanamide
CID 108572434
N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 748766

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(2-hydroxyethylamino)-2-oxoethoxy]naphthalen-1-yl]-N-methylpropanamide?
The IUPAC name of 3-[5-[2-(2-hydroxyethylamino)-2-oxoethoxy]naphthalen-1-yl]-N-methylpropanamide (CID 54130436) is 3-[5-[2-(2-hydroxyethylamino)-2-oxoethoxy]naphthalen-1-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[5-[2-(2-hydroxyethylamino)-2-oxoethoxy]naphthalen-1-yl]-N-methylpropanamide?
The canonical SMILES for 3-[5-[2-(2-hydroxyethylamino)-2-oxoethoxy]naphthalen-1-yl]-N-methylpropanamide is CNC(=O)CCc1cccc2c(OCC(=O)NCCO)cccc12.
What is the InChIKey of 3-[5-[2-(2-hydroxyethylamino)-2-oxoethoxy]naphthalen-1-yl]-N-methylpropanamide?
The InChIKey is NTYPYOPUGQPJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-19-17(22)9-8-13-4-2-6-15-14(13)5-3-7-16(15)24-12-18(23)20-10-11-21/h2-7,21H,8-12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 3-[5-[2-(2-hydroxyethylamino)-2-oxoethoxy]naphthalen-1-yl]-N-methylpropanamide?
3-[5-[2-(2-hydroxyethylamino)-2-oxoethoxy]naphthalen-1-yl]-N-methylpropanamide has a molecular weight of 330.38 g/mol, XLogP of 1.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(2-hydroxyethylamino)-2-oxoethoxy]naphthalen-1-yl]-N-methylpropanamide is sourced from PubChem (CID 54130436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).