N-[3-[[(2R)-oxan-2-yl]oxyamino]-3-oxopropyl]naphthalene-2-carboxamide

C19H22N2O4 — CID 95285310

IUPACN-[3-[[(2R)-oxan-2-yl]oxyamino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESO=C(CCNC(=O)c1ccc2ccccc2c1)NO[C@@H]1CCCCO1
InChIInChI=1S/C19H22N2O4/c22-17(21-25-18-7-3-4-12-24-18)10-11-20-19(23)16-9-8-14-5-1-2-6-15(14)13-16/h1-2,5-6,8-9,13,18H,3-4,7,10-12H2,(H,20,23)(H,21,22)/t18-/m1/s1
InChIKeyVLYVNFJLKVSXPF-GOSISDBHSA-N
MW342.39 g/mol
LogP2.53
Rot. Bonds6

About N-[3-[[(2R)-oxan-2-yl]oxyamino]-3-oxopropyl]naphthalene-2-carboxamide

N-[3-[[(2R)-oxan-2-yl]oxyamino]-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 95285310) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is N-[3-[[(2R)-oxan-2-yl]oxyamino]-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2R)-oxan-2-yl]oxyamino]-3-oxopropyl]naphthalene-2-carboxamide
PubChem CID95285310
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC NameN-[3-[[(2R)-oxan-2-yl]oxyamino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESO=C(CCNC(=O)c1ccc2ccccc2c1)NO[C@@H]1CCCCO1
InChIInChI=1S/C19H22N2O4/c22-17(21-25-18-7-3-4-12-24-18)10-11-20-19(23)16-9-8-14-5-1-2-6-15(14)13-16/h1-2,5-6,8-9,13,18H,3-4,7,10-12H2,(H,20,23)(H,21,22)/t18-/m1/s1
InChIKeyVLYVNFJLKVSXPF-GOSISDBHSA-N
XLogP2.53
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 119384874
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 119591532
N-[1-[4-(hydroxycarbamoyl)phenyl]piperidin-4-yl]naphthalene-2-carboxamide;N-[1-[4-(oxan-2-yloxycarbamoyl)phenyl]piperidin-4-yl]naphthalene-2-carboxamide
CID 159718507
N-(2,6-difluorophenyl)-N'-(oxan-2-yloxy)butanediamide
CID 126840011
1-naphthalen-2-yl-2-(oxan-2-yloxy)ethanone
CID 10945509
N-[7-(oxan-2-yloxyamino)-7-oxoheptyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide
CID 59535534
2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyacetamide
CID 94817277
4-[3-(naphthalene-2-carbonylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229008
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
2-(6-bromonaphthalen-2-yl)oxy-N-(oxan-2-yloxy)acetamide
CID 60612212
3-benzamido-4-methyl-N-[(2S)-oxan-2-yl]oxybenzamide
CID 52829145

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2R)-oxan-2-yl]oxyamino]-3-oxopropyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[[(2R)-oxan-2-yl]oxyamino]-3-oxopropyl]naphthalene-2-carboxamide (CID 95285310) is N-[3-[[(2R)-oxan-2-yl]oxyamino]-3-oxopropyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[[(2R)-oxan-2-yl]oxyamino]-3-oxopropyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[[(2R)-oxan-2-yl]oxyamino]-3-oxopropyl]naphthalene-2-carboxamide is O=C(CCNC(=O)c1ccc2ccccc2c1)NO[C@@H]1CCCCO1.
What is the InChIKey of N-[3-[[(2R)-oxan-2-yl]oxyamino]-3-oxopropyl]naphthalene-2-carboxamide?
The InChIKey is VLYVNFJLKVSXPF-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22N2O4/c22-17(21-25-18-7-3-4-12-24-18)10-11-20-19(23)16-9-8-14-5-1-2-6-15(14)13-16/h1-2,5-6,8-9,13,18H,3-4,7,10-12H2,(H,20,23)(H,21,22)/t18-/m1/s1.
What are the key properties of N-[3-[[(2R)-oxan-2-yl]oxyamino]-3-oxopropyl]naphthalene-2-carboxamide?
N-[3-[[(2R)-oxan-2-yl]oxyamino]-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 342.39 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2R)-oxan-2-yl]oxyamino]-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 95285310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).