N-[(3S)-2,6-dioxooxan-3-yl]naphthalene-1-carboxamide

C16H13NO4 — CID 54389297

IUPACN-[(3S)-2,6-dioxooxan-3-yl]naphthalene-1-carboxamide
SMILESO=C1CC[C@H](NC(=O)c2cccc3ccccc23)C(=O)O1
InChIInChI=1S/C16H13NO4/c18-14-9-8-13(16(20)21-14)17-15(19)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13H,8-9H2,(H,17,19)/t13-/m0/s1
InChIKeyVFMHEQUIDMXOGQ-ZDUSSCGKSA-N
MW283.28 g/mol
LogP1.80
Rot. Bonds2

About N-[(3S)-2,6-dioxooxan-3-yl]naphthalene-1-carboxamide

N-[(3S)-2,6-dioxooxan-3-yl]naphthalene-1-carboxamide (PubChem CID 54389297) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is N-[(3S)-2,6-dioxooxan-3-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(3S)-2,6-dioxooxan-3-yl]naphthalene-1-carboxamide
PubChem CID54389297
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC NameN-[(3S)-2,6-dioxooxan-3-yl]naphthalene-1-carboxamide
SMILESO=C1CC[C@H](NC(=O)c2cccc3ccccc23)C(=O)O1
InChIInChI=1S/C16H13NO4/c18-14-9-8-13(16(20)21-14)17-15(19)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13H,8-9H2,(H,17,19)/t13-/m0/s1
InChIKeyVFMHEQUIDMXOGQ-ZDUSSCGKSA-N
XLogP1.80
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylidene-2-oxocyclohexyl)naphthalene-1-carboxamide
CID 160711449
(3R)-3-(naphthalene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66799120
N-(6-oxopiperidin-3-yl)naphthalene-1-carboxamide
CID 62491603
N-(2-aminocyclopropyl)naphthalene-1-carboxamide
CID 43593836
N-[(3S)-pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 79689471
N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554043
N-(2-chloro-4-methylidenecyclohexyl)naphthalene-1-carboxamide
CID 91046482
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide
CID 95985176
N-(2,6-dioxopiperidin-3-yl)-3-oxobenzo[f]chromene-2-carboxamide
CID 154810863
(4S,7S)-N-[(3S)-2-methoxy-5-oxooxolan-3-yl]-7-(naphthalene-1-carbonylamino)-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide
CID 59098423
methyl 4-(naphthalene-1-carbonylamino)piperidine-1-carboxylate
CID 108561371
N'-cyclohexylnaphthalene-1-carbohydrazide
CID 22613432

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2,6-dioxooxan-3-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[(3S)-2,6-dioxooxan-3-yl]naphthalene-1-carboxamide (CID 54389297) is N-[(3S)-2,6-dioxooxan-3-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(3S)-2,6-dioxooxan-3-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[(3S)-2,6-dioxooxan-3-yl]naphthalene-1-carboxamide is O=C1CC[C@H](NC(=O)c2cccc3ccccc23)C(=O)O1.
What is the InChIKey of N-[(3S)-2,6-dioxooxan-3-yl]naphthalene-1-carboxamide?
The InChIKey is VFMHEQUIDMXOGQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H13NO4/c18-14-9-8-13(16(20)21-14)17-15(19)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13H,8-9H2,(H,17,19)/t13-/m0/s1.
What are the key properties of N-[(3S)-2,6-dioxooxan-3-yl]naphthalene-1-carboxamide?
N-[(3S)-2,6-dioxooxan-3-yl]naphthalene-1-carboxamide has a molecular weight of 283.28 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2,6-dioxooxan-3-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 54389297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).