2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-methyl-N-propan-2-ylacetamide

C16H22N2O3 — CID 77067652

IUPAC2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)COc1cccc2c1CCCC2=NO
InChIInChI=1S/C16H22N2O3/c1-11(2)18(3)16(19)10-21-15-9-5-6-12-13(15)7-4-8-14(12)17-20/h5-6,9,11,20H,4,7-8,10H2,1-3H3
InChIKeyLUDBPOJYFLRAOU-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.45
Rot. Bonds4

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

2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-methyl-N-propan-2-ylacetamide (PubChem CID 77067652) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-methyl-N-propan-2-ylacetamide
PubChem CID77067652
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)COc1cccc2c1CCCC2=NO
InChIInChI=1S/C16H22N2O3/c1-11(2)18(3)16(19)10-21-15-9-5-6-12-13(15)7-4-8-14(12)17-20/h5-6,9,11,20H,4,7-8,10H2,1-3H3
InChIKeyLUDBPOJYFLRAOU-UHFFFAOYSA-N
XLogP2.45
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
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

(NE)-N-[5-(2-methylpropoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 65455967
N-cyclopropyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]-N-methylacetamide
CID 76984578
N-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 3532765
N-[5-(2-methylsulfonylethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 77067781
1-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]butan-2-ol
CID 77067742
N-[5-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 77067727
N-(cyclopropylmethyl)-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetamide
CID 77067617
1-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-methoxypropan-2-ol
CID 77067604
N-ethyl-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide
CID 77067637
N-[5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 77067632
(NZ)-N-[5-(2-fluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 80696031
N-[5-(3,3-dimethylbutoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 77067678

Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-methyl-N-propan-2-ylacetamide (CID 77067652) is 2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)COc1cccc2c1CCCC2=NO.
What is the InChIKey of 2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is LUDBPOJYFLRAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(2)18(3)16(19)10-21-15-9-5-6-12-13(15)7-4-8-14(12)17-20/h5-6,9,11,20H,4,7-8,10H2,1-3H3.
What are the key properties of 2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-methyl-N-propan-2-ylacetamide?
2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 290.36 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 77067652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).