(E)-3-naphthalen-2-yl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-2-enamide

C19H21NO6 — CID 11233685

IUPAC(E)-3-naphthalen-2-yl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2ccccc2c1)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C19H21NO6/c21-10-14-16(23)17(24)18(25)19(26-14)20-15(22)8-6-11-5-7-12-3-1-2-4-13(12)9-11/h1-9,14,16-19,21,23-25H,10H2,(H,20,22)/b8-6+/t14-,16-,17+,18-,19-/m1/s1
InChIKeyWOGKJCFYMGJORG-XBXJFLBSSA-N
MW359.38 g/mol
LogP-0.23
Rot. Bonds4

About (E)-3-naphthalen-2-yl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-2-enamide

(E)-3-naphthalen-2-yl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-2-enamide (PubChem CID 11233685) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is (E)-3-naphthalen-2-yl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-naphthalen-2-yl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-2-enamide
PubChem CID11233685
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name(E)-3-naphthalen-2-yl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2ccccc2c1)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C19H21NO6/c21-10-14-16(23)17(24)18(25)19(26-14)20-15(22)8-6-11-5-7-12-3-1-2-4-13(12)9-11/h1-9,14,16-19,21,23-25H,10H2,(H,20,22)/b8-6+/t14-,16-,17+,18-,19-/m1/s1
InChIKeyWOGKJCFYMGJORG-XBXJFLBSSA-N
XLogP-0.23
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 5-0.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[[(2r,3r,4s,5s,6r)-6-(Hydroxymethyl)-3,4,5-Tris(Oxidanyl)oxan-2-Yl]carbamoyl]naphthalene-2-Carboxamide
CID 44579302
N-[[(2r,3r,4s,5s,6r)-6-(Hydroxymethyl)-3,4,5-Tris(Oxidanyl)oxan-2-Yl]carbamoyl]naphthalene-1-Carboxamide
CID 44579301
N-[4-(5,6,7,8-Tetrahydronaphthalen-2-Yl)butanoyl]-Beta-D-Glucopyranosylamine
CID 76210613
N-{(2e)-3-[4-(Propan-2-Yl)phenyl]prop-2-Enoyl}-Beta-D-Glucopyranosylamine
CID 101902451
N-[(2e)-3-(Biphenyl-4-Yl)prop-2-Enoyl]-Beta-D-Glucopyranosylamine
CID 118710051
N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]naphthalene-2-carboxamide
CID 168273183
N-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yl)-2-naphthamide
CID 44579270
3-(4-phenylphenyl)-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide
CID 76210611
N-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yl)-1-naphthamide
CID 44579269
(E)-3-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-2-enamide
CID 118710031
trans-(1S,2R)-2-methyl-1-naphthalen-1-yl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclopropane-1-carboxamide
CID 118710040
(3R)-3-(3,4-dimethylphenyl)-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide
CID 118710048

Frequently Asked Questions

What is the IUPAC name of (E)-3-naphthalen-2-yl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-naphthalen-2-yl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-2-enamide (CID 11233685) is (E)-3-naphthalen-2-yl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-naphthalen-2-yl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-naphthalen-2-yl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-2-enamide is O=C(/C=C/c1ccc2ccccc2c1)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (E)-3-naphthalen-2-yl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-2-enamide?
The InChIKey is WOGKJCFYMGJORG-XBXJFLBSSA-N. The full InChI is InChI=1S/C19H21NO6/c21-10-14-16(23)17(24)18(25)19(26-14)20-15(22)8-6-11-5-7-12-3-1-2-4-13(12)9-11/h1-9,14,16-19,21,23-25H,10H2,(H,20,22)/b8-6+/t14-,16-,17+,18-,19-/m1/s1.
What are the key properties of (E)-3-naphthalen-2-yl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-2-enamide?
(E)-3-naphthalen-2-yl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-2-enamide has a molecular weight of 359.38 g/mol, XLogP of -0.23, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-naphthalen-2-yl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-2-enamide is sourced from PubChem (CID 11233685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).