N-benzhydryl-2-hydroxy-6-oxo-6-[(4R)-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]hexanamide

C27H35NO5 — CID 160555859

IUPACN-benzhydryl-2-hydroxy-6-oxo-6-[(4R)-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]hexanamide
SMILESCC1(C)OCC(C)(C)[C@H](C(=O)CCCC(O)C(=O)NC(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C27H35NO5/c1-26(2)18-32-27(3,4)33-24(26)21(29)16-11-17-22(30)25(31)28-23(19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-10,12-15,22-24,30H,11,16-18H2,1-4H3,(H,28,31)/t22?,24-/m0/s1
InChIKeyQYRCSDBJCAYGGW-GITCGBDTSA-N
MW453.58 g/mol
LogP4.17
Rot. Bonds9

About N-benzhydryl-2-hydroxy-6-oxo-6-[(4R)-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]hexanamide

N-benzhydryl-2-hydroxy-6-oxo-6-[(4R)-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]hexanamide (PubChem CID 160555859) has the molecular formula C27H35NO5 and a molecular weight of 453.58 g/mol. Its IUPAC name is N-benzhydryl-2-hydroxy-6-oxo-6-[(4R)-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]hexanamide.

Molecular Properties

Compound NameN-benzhydryl-2-hydroxy-6-oxo-6-[(4R)-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]hexanamide
PubChem CID160555859
Molecular FormulaC27H35NO5
Molecular Weight453.58 g/mol
Exact Mass453.25
IUPAC NameN-benzhydryl-2-hydroxy-6-oxo-6-[(4R)-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]hexanamide
SMILESCC1(C)OCC(C)(C)[C@H](C(=O)CCCC(O)C(=O)NC(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C27H35NO5/c1-26(2)18-32-27(3,4)33-24(26)21(29)16-11-17-22(30)25(31)28-23(19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-10,12-15,22-24,30H,11,16-18H2,1-4H3,(H,28,31)/t22?,24-/m0/s1
InChIKeyQYRCSDBJCAYGGW-GITCGBDTSA-N
XLogP4.17
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.58
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-hydroxy-6-oxo-6-[(4R)-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]hexanamide?
The IUPAC name of N-benzhydryl-2-hydroxy-6-oxo-6-[(4R)-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]hexanamide (CID 160555859) is N-benzhydryl-2-hydroxy-6-oxo-6-[(4R)-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]hexanamide.
What is the SMILES notation for N-benzhydryl-2-hydroxy-6-oxo-6-[(4R)-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]hexanamide?
The canonical SMILES for N-benzhydryl-2-hydroxy-6-oxo-6-[(4R)-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]hexanamide is CC1(C)OCC(C)(C)[C@H](C(=O)CCCC(O)C(=O)NC(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of N-benzhydryl-2-hydroxy-6-oxo-6-[(4R)-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]hexanamide?
The InChIKey is QYRCSDBJCAYGGW-GITCGBDTSA-N. The full InChI is InChI=1S/C27H35NO5/c1-26(2)18-32-27(3,4)33-24(26)21(29)16-11-17-22(30)25(31)28-23(19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-10,12-15,22-24,30H,11,16-18H2,1-4H3,(H,28,31)/t22?,24-/m0/s1.
What are the key properties of N-benzhydryl-2-hydroxy-6-oxo-6-[(4R)-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]hexanamide?
N-benzhydryl-2-hydroxy-6-oxo-6-[(4R)-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]hexanamide has a molecular weight of 453.58 g/mol, XLogP of 4.17, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-hydroxy-6-oxo-6-[(4R)-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]hexanamide is sourced from PubChem (CID 160555859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).