N-(2-cyanoethyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide

C15H18N2O3 — CID 60746799

IUPACN-(2-cyanoethyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
SMILESN#CCCNC(=O)COc1cccc2c1CCCC2O
InChIInChI=1S/C15H18N2O3/c16-8-3-9-17-15(19)10-20-14-7-2-4-11-12(14)5-1-6-13(11)18/h2,4,7,13,18H,1,3,5-6,9-10H2,(H,17,19)
InChIKeyHZDSDHXOBYETFI-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.46
Rot. Bonds5

About N-(2-cyanoethyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide

N-(2-cyanoethyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide (PubChem CID 60746799) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
PubChem CID60746799
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-(2-cyanoethyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
SMILESN#CCCNC(=O)COc1cccc2c1CCCC2O
InChIInChI=1S/C15H18N2O3/c16-8-3-9-17-15(19)10-20-14-7-2-4-11-12(14)5-1-6-13(11)18/h2,4,7,13,18H,1,3,5-6,9-10H2,(H,17,19)
InChIKeyHZDSDHXOBYETFI-UHFFFAOYSA-N
XLogP1.46
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-(cyanomethyl)acetamide
CID 65455158
N-(2,6-dimethylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
CID 42899606
N-(2,6-diethylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
CID 42899618
2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-pentan-2-ylacetamide
CID 60623659
N-(3-chlorophenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 39921895
N-(3-fluoro-4-methylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
CID 42899587
2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-N-(4-propan-2-ylphenyl)acetamide
CID 39921821
N-cyclopropyl-2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]acetamide
CID 63091231
2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-(2-propan-2-ylphenyl)acetamide
CID 42899623
N-(3,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 39921920
N-(3,4-dimethoxyphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
CID 42899628
N-[4-(difluoromethoxy)phenyl]-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 39921778

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide (CID 60746799) is N-(2-cyanoethyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide is N#CCCNC(=O)COc1cccc2c1CCCC2O.
What is the InChIKey of N-(2-cyanoethyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide?
The InChIKey is HZDSDHXOBYETFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c16-8-3-9-17-15(19)10-20-14-7-2-4-11-12(14)5-1-6-13(11)18/h2,4,7,13,18H,1,3,5-6,9-10H2,(H,17,19).
What are the key properties of N-(2-cyanoethyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide?
N-(2-cyanoethyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide is sourced from PubChem (CID 60746799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).