N,N-diethyl-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide

C17H23NO3 — CID 65453882

IUPACN,N-diethyl-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide
SMILESCCN(CC)C(=O)C(C)Oc1cccc2c1CCCC2=O
InChIInChI=1S/C17H23NO3/c1-4-18(5-2)17(20)12(3)21-16-11-7-8-13-14(16)9-6-10-15(13)19/h7-8,11-12H,4-6,9-10H2,1-3H3
InChIKeyFJSILDQTEGCMMH-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.84
Rot. Bonds5

About N,N-diethyl-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide

N,N-diethyl-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide (PubChem CID 65453882) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is N,N-diethyl-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide
PubChem CID65453882
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC NameN,N-diethyl-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide
SMILESCCN(CC)C(=O)C(C)Oc1cccc2c1CCCC2=O
InChIInChI=1S/C17H23NO3/c1-4-18(5-2)17(20)12(3)21-16-11-7-8-13-14(16)9-6-10-15(13)19/h7-8,11-12H,4-6,9-10H2,1-3H3
InChIKeyFJSILDQTEGCMMH-UHFFFAOYSA-N
XLogP2.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide
CID 65454063
2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-prop-2-enylpropanamide
CID 65453871
ethyl 2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]pentanoate
CID 83040061
5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65455007
(5-oxo-7,8-dihydro-6H-naphthalen-1-yl) acetate
CID 15503045
N-(2-methoxyethyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]propanamide
CID 60705524
N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]phenoxy]propanamide
CID 78930736
5-(2-hydroxy-2-methylbutoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 114493926
N-ethyl-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide
CID 77067637
5-(2,2-difluoroethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65455954
N-(1-methoxypropan-2-yl)-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetamide
CID 65454442
2-[(2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide
CID 65102205

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide?
The IUPAC name of N,N-diethyl-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide (CID 65453882) is N,N-diethyl-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide.
What is the SMILES notation for N,N-diethyl-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide?
The canonical SMILES for N,N-diethyl-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide is CCN(CC)C(=O)C(C)Oc1cccc2c1CCCC2=O.
What is the InChIKey of N,N-diethyl-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide?
The InChIKey is FJSILDQTEGCMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-4-18(5-2)17(20)12(3)21-16-11-7-8-13-14(16)9-6-10-15(13)19/h7-8,11-12H,4-6,9-10H2,1-3H3.
What are the key properties of N,N-diethyl-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide?
N,N-diethyl-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide has a molecular weight of 289.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide is sourced from PubChem (CID 65453882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).