4-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-dimethylbutanamide

C16H23NO3 — CID 65454087

IUPAC4-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCOc1cccc2c1CCCC2O
InChIInChI=1S/C16H23NO3/c1-17(2)16(19)10-5-11-20-15-9-4-6-12-13(15)7-3-8-14(12)18/h4,6,9,14,18H,3,5,7-8,10-11H2,1-2H3
InChIKeyUWAOTYHTIMFUQW-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.30
Rot. Bonds5

About 4-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-dimethylbutanamide

4-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-dimethylbutanamide (PubChem CID 65454087) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 4-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-dimethylbutanamide
PubChem CID65454087
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name4-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCOc1cccc2c1CCCC2O
InChIInChI=1S/C16H23NO3/c1-17(2)16(19)10-5-11-20-15-9-4-6-12-13(15)7-3-8-14(12)18/h4,6,9,14,18H,3,5,7-8,10-11H2,1-2H3
InChIKeyUWAOTYHTIMFUQW-UHFFFAOYSA-N
XLogP2.30
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-propan-2-ylpropanamide
CID 63090874
5-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpentanenitrile
CID 65454089
5-(2-phenylsulfanylethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79228032
N-(2,6-dimethylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
CID 42899606
5-(2,2-difluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 65456544
5-[(5-methyloxolan-2-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 103135185
N-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanehydrazide
CID 116820578
ethyl 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]pentanoate
CID 83040077
N-(2,6-diethylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
CID 42899618
5-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 106929819
N,N-dimethyl-4-naphthalen-1-yloxybutanamide
CID 60769263
N-(2-cyanoethyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
CID 60746799

Frequently Asked Questions

What is the IUPAC name of 4-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-dimethylbutanamide?
The IUPAC name of 4-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-dimethylbutanamide (CID 65454087) is 4-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-dimethylbutanamide is CN(C)C(=O)CCCOc1cccc2c1CCCC2O.
What is the InChIKey of 4-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-dimethylbutanamide?
The InChIKey is UWAOTYHTIMFUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-17(2)16(19)10-5-11-20-15-9-4-6-12-13(15)7-3-8-14(12)18/h4,6,9,14,18H,3,5,7-8,10-11H2,1-2H3.
What are the key properties of 4-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-dimethylbutanamide?
4-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-dimethylbutanamide has a molecular weight of 277.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-dimethylbutanamide is sourced from PubChem (CID 65454087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).