N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]-4-phenylbenzamide

C19H23NO6 — CID 175913500

IUPACN-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]-4-phenylbenzamide
SMILESO=C(NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H23NO6/c21-11-16(23)18(25)17(24)15(22)10-20-19(26)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15-18,21-25H,10-11H2,(H,20,26)/t15-,16+,17+,18+/m0/s1
InChIKeyMNLOMUVENMLJNF-BSDSXHPESA-N
MW361.39 g/mol
LogP-0.48
Rot. Bonds8

About N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]-4-phenylbenzamide

N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]-4-phenylbenzamide (PubChem CID 175913500) has the molecular formula C19H23NO6 and a molecular weight of 361.39 g/mol. Its IUPAC name is N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]-4-phenylbenzamide
PubChem CID175913500
Molecular FormulaC19H23NO6
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC NameN-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]-4-phenylbenzamide
SMILESO=C(NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H23NO6/c21-11-16(23)18(25)17(24)15(22)10-20-19(26)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15-18,21-25H,10-11H2,(H,20,26)/t15-,16+,17+,18+/m0/s1
InChIKeyMNLOMUVENMLJNF-BSDSXHPESA-N
XLogP-0.48
TPSA130.25 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.39
LogP ≤ 5-0.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxypropyl)-4-phenylbenzamide
CID 43391038
3,4-dihydroxy-N-[(2R,4R)-2,3,4,5,6-pentahydroxyhexyl]benzamide
CID 118232754
N-(2-methylpropyl)-4-(4-phenylphenyl)benzamide
CID 145125410
4-phenyl-N-[2-[(4-phenylbenzoyl)amino]propyl]benzamide
CID 3732499
N-[2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-4-phenylbenzamide
CID 59697016
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-4-phenylbenzamide
CID 95367502
N-[2-benzamido-2-(4-phenylphenyl)ethyl]benzamide
CID 139256665
N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-phenylbenzamide
CID 8701383
N-[2-(furan-3-yl)-2-hydroxyethyl]-4-phenylbenzamide
CID 71798320
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzamide
CID 7496029
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzamide
CID 7496027
4-phenyl-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157619

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]-4-phenylbenzamide?
The IUPAC name of N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]-4-phenylbenzamide (CID 175913500) is N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]-4-phenylbenzamide.
What is the SMILES notation for N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]-4-phenylbenzamide?
The canonical SMILES for N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]-4-phenylbenzamide is O=C(NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]-4-phenylbenzamide?
The InChIKey is MNLOMUVENMLJNF-BSDSXHPESA-N. The full InChI is InChI=1S/C19H23NO6/c21-11-16(23)18(25)17(24)15(22)10-20-19(26)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15-18,21-25H,10-11H2,(H,20,26)/t15-,16+,17+,18+/m0/s1.
What are the key properties of N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]-4-phenylbenzamide?
N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]-4-phenylbenzamide has a molecular weight of 361.39 g/mol, XLogP of -0.48, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]-4-phenylbenzamide is sourced from PubChem (CID 175913500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).