N-[(2S,3R)-2-benzyl-3-hydroxy-2-methylbutyl]oxane-4-carboxamide

C18H27NO3 — CID 99835299

IUPACN-[(2S,3R)-2-benzyl-3-hydroxy-2-methylbutyl]oxane-4-carboxamide
SMILESC[C@@H](O)[C@](C)(CNC(=O)C1CCOCC1)Cc1ccccc1
InChIInChI=1S/C18H27NO3/c1-14(20)18(2,12-15-6-4-3-5-7-15)13-19-17(21)16-8-10-22-11-9-16/h3-7,14,16,20H,8-13H2,1-2H3,(H,19,21)/t14-,18+/m1/s1
InChIKeyCYHGXAJOAKTTKI-KDOFPFPSSA-N
MW305.42 g/mol
LogP2.16
Rot. Bonds6

About N-[(2S,3R)-2-benzyl-3-hydroxy-2-methylbutyl]oxane-4-carboxamide

N-[(2S,3R)-2-benzyl-3-hydroxy-2-methylbutyl]oxane-4-carboxamide (PubChem CID 99835299) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[(2S,3R)-2-benzyl-3-hydroxy-2-methylbutyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(2S,3R)-2-benzyl-3-hydroxy-2-methylbutyl]oxane-4-carboxamide
PubChem CID99835299
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-[(2S,3R)-2-benzyl-3-hydroxy-2-methylbutyl]oxane-4-carboxamide
SMILESC[C@@H](O)[C@](C)(CNC(=O)C1CCOCC1)Cc1ccccc1
InChIInChI=1S/C18H27NO3/c1-14(20)18(2,12-15-6-4-3-5-7-15)13-19-17(21)16-8-10-22-11-9-16/h3-7,14,16,20H,8-13H2,1-2H3,(H,19,21)/t14-,18+/m1/s1
InChIKeyCYHGXAJOAKTTKI-KDOFPFPSSA-N
XLogP2.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-2-benzyl-3-hydroxy-2-methylbutyl]oxane-4-carboxamide?
The IUPAC name of N-[(2S,3R)-2-benzyl-3-hydroxy-2-methylbutyl]oxane-4-carboxamide (CID 99835299) is N-[(2S,3R)-2-benzyl-3-hydroxy-2-methylbutyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(2S,3R)-2-benzyl-3-hydroxy-2-methylbutyl]oxane-4-carboxamide?
The canonical SMILES for N-[(2S,3R)-2-benzyl-3-hydroxy-2-methylbutyl]oxane-4-carboxamide is C[C@@H](O)[C@](C)(CNC(=O)C1CCOCC1)Cc1ccccc1.
What is the InChIKey of N-[(2S,3R)-2-benzyl-3-hydroxy-2-methylbutyl]oxane-4-carboxamide?
The InChIKey is CYHGXAJOAKTTKI-KDOFPFPSSA-N. The full InChI is InChI=1S/C18H27NO3/c1-14(20)18(2,12-15-6-4-3-5-7-15)13-19-17(21)16-8-10-22-11-9-16/h3-7,14,16,20H,8-13H2,1-2H3,(H,19,21)/t14-,18+/m1/s1.
What are the key properties of N-[(2S,3R)-2-benzyl-3-hydroxy-2-methylbutyl]oxane-4-carboxamide?
N-[(2S,3R)-2-benzyl-3-hydroxy-2-methylbutyl]oxane-4-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-2-benzyl-3-hydroxy-2-methylbutyl]oxane-4-carboxamide is sourced from PubChem (CID 99835299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).