4-(naphthalene-1-carbonylamino)oxybutyl acetate

C17H19NO4 — CID 91373461

IUPAC4-(naphthalene-1-carbonylamino)oxybutyl acetate
SMILESCC(=O)OCCCCONC(=O)c1cccc2ccccc12
InChIInChI=1S/C17H19NO4/c1-13(19)21-11-4-5-12-22-18-17(20)16-10-6-8-14-7-2-3-9-15(14)16/h2-3,6-10H,4-5,11-12H2,1H3,(H,18,20)
InChIKeyQDSXZJAEAWTWQL-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.84
Rot. Bonds7

About 4-(naphthalene-1-carbonylamino)oxybutyl acetate

4-(naphthalene-1-carbonylamino)oxybutyl acetate (PubChem CID 91373461) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 4-(naphthalene-1-carbonylamino)oxybutyl acetate.

Molecular Properties

Compound Name4-(naphthalene-1-carbonylamino)oxybutyl acetate
PubChem CID91373461
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name4-(naphthalene-1-carbonylamino)oxybutyl acetate
SMILESCC(=O)OCCCCONC(=O)c1cccc2ccccc12
InChIInChI=1S/C17H19NO4/c1-13(19)21-11-4-5-12-22-18-17(20)16-10-6-8-14-7-2-3-9-15(14)16/h2-3,6-10H,4-5,11-12H2,1H3,(H,18,20)
InChIKeyQDSXZJAEAWTWQL-UHFFFAOYSA-N
XLogP2.84
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Naphthohydroxamic Acid
CID 23382
N-hydroxy-2-naphthalenecarboxamide
CID 25164
2'',4'',6''-Trimethyl-biphenyl-4-carboxylic acid hydroxyamide
CID 44307273
N-[6-(hydroxyamino)-6-oxohexoxy]naphthalene-2-carboxamide
CID 164626366
4-Benzamidooxybutyl acetate
CID 154236
N-[6-(hydroxyamino)-6-oxohexoxy]naphthalene-1-carboxamide
CID 164627877
2-Naphthohydroxamic acid, O-methyl-
CID 149578
Hydroxylamine, O-acetyl-N-(2-naphthoyl)-
CID 149579
N-(2-Naphthoyl)-O-propionylhydroxylamine
CID 149581
N-(oxan-2-yloxy)naphthalene-1-carboxamide
CID 51103162
Hydroxylamine, O-formyl-N-(2-naphthoyl)-
CID 149580
8-Benzamidooxyoctyl acetate
CID 154237

Frequently Asked Questions

What is the IUPAC name of 4-(naphthalene-1-carbonylamino)oxybutyl acetate?
The IUPAC name of 4-(naphthalene-1-carbonylamino)oxybutyl acetate (CID 91373461) is 4-(naphthalene-1-carbonylamino)oxybutyl acetate.
What is the SMILES notation for 4-(naphthalene-1-carbonylamino)oxybutyl acetate?
The canonical SMILES for 4-(naphthalene-1-carbonylamino)oxybutyl acetate is CC(=O)OCCCCONC(=O)c1cccc2ccccc12.
What is the InChIKey of 4-(naphthalene-1-carbonylamino)oxybutyl acetate?
The InChIKey is QDSXZJAEAWTWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-13(19)21-11-4-5-12-22-18-17(20)16-10-6-8-14-7-2-3-9-15(14)16/h2-3,6-10H,4-5,11-12H2,1H3,(H,18,20).
What are the key properties of 4-(naphthalene-1-carbonylamino)oxybutyl acetate?
4-(naphthalene-1-carbonylamino)oxybutyl acetate has a molecular weight of 301.34 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalene-1-carbonylamino)oxybutyl acetate is sourced from PubChem (CID 91373461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).