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

C15H20N2O3 — CID 77067637

IUPACN-ethyl-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide
SMILESCCNC(=O)C(C)Oc1cccc2c1CCCC2=NO
InChIInChI=1S/C15H20N2O3/c1-3-16-15(18)10(2)20-14-9-5-6-11-12(14)7-4-8-13(11)17-19/h5-6,9-10,19H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyZXYXNJLSFYOXSG-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.10
Rot. Bonds4

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

N-ethyl-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide (PubChem CID 77067637) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-ethyl-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide
PubChem CID77067637
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-ethyl-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide
SMILESCCNC(=O)C(C)Oc1cccc2c1CCCC2=NO
InChIInChI=1S/C15H20N2O3/c1-3-16-15(18)10(2)20-14-9-5-6-11-12(14)7-4-8-13(11)17-19/h5-6,9-10,19H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyZXYXNJLSFYOXSG-UHFFFAOYSA-N
XLogP2.10
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide
CID 65454063
N-[5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 77067632
2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-prop-2-enylpropanamide
CID 65453871
(NE)-N-[5-(2-methylpropoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 65455967
1-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]butan-2-ol
CID 77067742
N-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 3532765
2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-methyl-N-propan-2-ylacetamide
CID 77067652
N-(cyclopropylmethyl)-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetamide
CID 77067617
N-ethyl-2-(2-hydroxyphenoxy)propanamide
CID 43143422
1-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-methoxypropan-2-ol
CID 77067604
N-[5-(2-methylsulfonylethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 77067781
N-(2-methoxyethyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]propanamide
CID 60705524

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide?
The IUPAC name of N-ethyl-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide (CID 77067637) is N-ethyl-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide.
What is the SMILES notation for N-ethyl-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide?
The canonical SMILES for N-ethyl-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide is CCNC(=O)C(C)Oc1cccc2c1CCCC2=NO.
What is the InChIKey of N-ethyl-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide?
The InChIKey is ZXYXNJLSFYOXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-16-15(18)10(2)20-14-9-5-6-11-12(14)7-4-8-13(11)17-19/h5-6,9-10,19H,3-4,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-ethyl-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide?
N-ethyl-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide has a molecular weight of 276.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide is sourced from PubChem (CID 77067637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).