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

C17H23NO3 — CID 65454063

IUPACN-butyl-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide
SMILESCCCCNC(=O)C(C)Oc1cccc2c1CCCC2=O
InChIInChI=1S/C17H23NO3/c1-3-4-11-18-17(20)12(2)21-16-10-6-7-13-14(16)8-5-9-15(13)19/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,18,20)
InChIKeyIIMFERCWVDZCKX-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.89
Rot. Bonds6

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

N-butyl-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide (PubChem CID 65454063) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-butyl-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide.

Molecular Properties

Compound NameN-butyl-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide
PubChem CID65454063
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC NameN-butyl-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide
SMILESCCCCNC(=O)C(C)Oc1cccc2c1CCCC2=O
InChIInChI=1S/C17H23NO3/c1-3-4-11-18-17(20)12(2)21-16-10-6-7-13-14(16)8-5-9-15(13)19/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,18,20)
InChIKeyIIMFERCWVDZCKX-UHFFFAOYSA-N
XLogP2.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.89
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

2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-prop-2-enylpropanamide
CID 65453871
N-(2-methoxyethyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]propanamide
CID 60705524
N,N-diethyl-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide
CID 65453882
N-ethyl-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide
CID 77067637
ethyl 2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]pentanoate
CID 83040061
(2R)-N-butyl-2-(2-methoxyphenoxy)propanamide
CID 40745436
N-butyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 63364873
5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65455007
N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133261915
(2R)-N-[(2S)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100546024
N-pentyl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)propanamide
CID 43117557
2-[2-(aminomethyl)-3-chlorophenoxy]-N-butylpropanamide
CID 114318420

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide?
The IUPAC name of N-butyl-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide (CID 65454063) is N-butyl-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide.
What is the SMILES notation for N-butyl-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide?
The canonical SMILES for N-butyl-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide is CCCCNC(=O)C(C)Oc1cccc2c1CCCC2=O.
What is the InChIKey of N-butyl-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide?
The InChIKey is IIMFERCWVDZCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-3-4-11-18-17(20)12(2)21-16-10-6-7-13-14(16)8-5-9-15(13)19/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,18,20).
What are the key properties of N-butyl-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide?
N-butyl-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide has a molecular weight of 289.38 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide is sourced from PubChem (CID 65454063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).