(2R,3S,4R)-2,3,4-trihydroxy-N,N-dimethyl-8-phenylmethoxyoctanamide

C17H27NO5 — CID 135039419

IUPAC(2R,3S,4R)-2,3,4-trihydroxy-N,N-dimethyl-8-phenylmethoxyoctanamide
SMILESCN(C)C(=O)[C@H](O)[C@@H](O)[C@H](O)CCCCOCc1ccccc1
InChIInChI=1S/C17H27NO5/c1-18(2)17(22)16(21)15(20)14(19)10-6-7-11-23-12-13-8-4-3-5-9-13/h3-5,8-9,14-16,19-21H,6-7,10-12H2,1-2H3/t14-,15+,16-/m1/s1
InChIKeyQONRLHHPRKSSMT-OWCLPIDISA-N
MW325.40 g/mol
LogP0.54
Rot. Bonds10

About (2R,3S,4R)-2,3,4-trihydroxy-N,N-dimethyl-8-phenylmethoxyoctanamide

(2R,3S,4R)-2,3,4-trihydroxy-N,N-dimethyl-8-phenylmethoxyoctanamide (PubChem CID 135039419) has the molecular formula C17H27NO5 and a molecular weight of 325.40 g/mol. Its IUPAC name is (2R,3S,4R)-2,3,4-trihydroxy-N,N-dimethyl-8-phenylmethoxyoctanamide.

Molecular Properties

Compound Name(2R,3S,4R)-2,3,4-trihydroxy-N,N-dimethyl-8-phenylmethoxyoctanamide
PubChem CID135039419
Molecular FormulaC17H27NO5
Molecular Weight325.40 g/mol
Exact Mass325.19
IUPAC Name(2R,3S,4R)-2,3,4-trihydroxy-N,N-dimethyl-8-phenylmethoxyoctanamide
SMILESCN(C)C(=O)[C@H](O)[C@@H](O)[C@H](O)CCCCOCc1ccccc1
InChIInChI=1S/C17H27NO5/c1-18(2)17(22)16(21)15(20)14(19)10-6-7-11-23-12-13-8-4-3-5-9-13/h3-5,8-9,14-16,19-21H,6-7,10-12H2,1-2H3/t14-,15+,16-/m1/s1
InChIKeyQONRLHHPRKSSMT-OWCLPIDISA-N
XLogP0.54
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-2,3,4-trihydroxy-N,N-dimethyl-8-phenylmethoxyoctanamide?
The IUPAC name of (2R,3S,4R)-2,3,4-trihydroxy-N,N-dimethyl-8-phenylmethoxyoctanamide (CID 135039419) is (2R,3S,4R)-2,3,4-trihydroxy-N,N-dimethyl-8-phenylmethoxyoctanamide.
What is the SMILES notation for (2R,3S,4R)-2,3,4-trihydroxy-N,N-dimethyl-8-phenylmethoxyoctanamide?
The canonical SMILES for (2R,3S,4R)-2,3,4-trihydroxy-N,N-dimethyl-8-phenylmethoxyoctanamide is CN(C)C(=O)[C@H](O)[C@@H](O)[C@H](O)CCCCOCc1ccccc1.
What is the InChIKey of (2R,3S,4R)-2,3,4-trihydroxy-N,N-dimethyl-8-phenylmethoxyoctanamide?
The InChIKey is QONRLHHPRKSSMT-OWCLPIDISA-N. The full InChI is InChI=1S/C17H27NO5/c1-18(2)17(22)16(21)15(20)14(19)10-6-7-11-23-12-13-8-4-3-5-9-13/h3-5,8-9,14-16,19-21H,6-7,10-12H2,1-2H3/t14-,15+,16-/m1/s1.
What are the key properties of (2R,3S,4R)-2,3,4-trihydroxy-N,N-dimethyl-8-phenylmethoxyoctanamide?
(2R,3S,4R)-2,3,4-trihydroxy-N,N-dimethyl-8-phenylmethoxyoctanamide has a molecular weight of 325.40 g/mol, XLogP of 0.54, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2,3,4-trihydroxy-N,N-dimethyl-8-phenylmethoxyoctanamide is sourced from PubChem (CID 135039419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).