N-[4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl]naphthalene-2-carboxamide

C25H27NO7 — CID 175518420

IUPACN-[4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccc(CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C25H27NO7/c27-14-20-21(28)22(29)23(30)25(33-20)32-12-11-15-5-9-19(10-6-15)26-24(31)18-8-7-16-3-1-2-4-17(16)13-18/h1-10,13,20-23,25,27-30H,11-12,14H2,(H,26,31)/t20-,21-,22+,23-,25-/m1/s1
InChIKeyZTBUIHSZIFBLPF-MXCHMSEPSA-N
MW453.49 g/mol
LogP1.45
Rot. Bonds7

About N-[4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl]naphthalene-2-carboxamide

N-[4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl]naphthalene-2-carboxamide (PubChem CID 175518420) has the molecular formula C25H27NO7 and a molecular weight of 453.49 g/mol. Its IUPAC name is N-[4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl]naphthalene-2-carboxamide
PubChem CID175518420
Molecular FormulaC25H27NO7
Molecular Weight453.49 g/mol
Exact Mass453.18
IUPAC NameN-[4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccc(CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C25H27NO7/c27-14-20-21(28)22(29)23(30)25(33-20)32-12-11-15-5-9-19(10-6-15)26-24(31)18-8-7-16-3-1-2-4-17(16)13-18/h1-10,13,20-23,25,27-30H,11-12,14H2,(H,26,31)/t20-,21-,22+,23-,25-/m1/s1
InChIKeyZTBUIHSZIFBLPF-MXCHMSEPSA-N
XLogP1.45
TPSA128.48 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.49
LogP ≤ 51.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

N-naphthalen-2-yl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
CID 78162415
[4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl] 4-ethylbenzoate
CID 162661618
[4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl] prop-2-enoate
CID 162661013
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
N-[(2R,3S,4R,5S,6S)-2-ethoxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]naphthalene-2-carboxamide
CID 71720268
(2R,3R,4S,5S,6R)-2-[2-(4-bromophenyl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 169106470
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(4-methoxyphenyl)ethoxy]oxane-3,4,5-triol
CID 172883416
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxane-3,4,5-triol
CID 2724405
(2S,3S,4R,5S,6S)-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxane-3,4,5-triol
CID 7099542
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-naphthalen-1-ylethoxy)oxane-3,4,5-triol
CID 100994417
2-oxo-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[4-(1,2,2-triphenylethenyl)phenyl]chromene-3-carboxamide
CID 156700342
N-[(2R,3S,4S,5S,6S)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-octoxyoxan-2-yl]methoxy]oxan-3-yl]naphthalene-2-carboxamide
CID 11650745

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl]naphthalene-2-carboxamide (CID 175518420) is N-[4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl]naphthalene-2-carboxamide is O=C(Nc1ccc(CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl]naphthalene-2-carboxamide?
The InChIKey is ZTBUIHSZIFBLPF-MXCHMSEPSA-N. The full InChI is InChI=1S/C25H27NO7/c27-14-20-21(28)22(29)23(30)25(33-20)32-12-11-15-5-9-19(10-6-15)26-24(31)18-8-7-16-3-1-2-4-17(16)13-18/h1-10,13,20-23,25,27-30H,11-12,14H2,(H,26,31)/t20-,21-,22+,23-,25-/m1/s1.
What are the key properties of N-[4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl]naphthalene-2-carboxamide?
N-[4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl]naphthalene-2-carboxamide has a molecular weight of 453.49 g/mol, XLogP of 1.45, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 175518420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).