(2S,3S,6R)-3-hydroxy-6-[2-[methyl(2-phenylethyl)amino]ethyl]-N-phenyloxane-2-carboxamide

C23H30N2O3 — CID 163141781

IUPAC(2S,3S,6R)-3-hydroxy-6-[2-[methyl(2-phenylethyl)amino]ethyl]-N-phenyloxane-2-carboxamide
SMILESCN(CCc1ccccc1)CC[C@H]1CC[C@H](O)[C@@H](C(=O)Nc2ccccc2)O1
InChIInChI=1S/C23H30N2O3/c1-25(16-14-18-8-4-2-5-9-18)17-15-20-12-13-21(26)22(28-20)23(27)24-19-10-6-3-7-11-19/h2-11,20-22,26H,12-17H2,1H3,(H,24,27)/t20-,21+,22+/m1/s1
InChIKeyKAYSPKCQKRVLJW-FSSWDIPSSA-N
MW382.50 g/mol
LogP3.10
Rot. Bonds8

About (2S,3S,6R)-3-hydroxy-6-[2-[methyl(2-phenylethyl)amino]ethyl]-N-phenyloxane-2-carboxamide

(2S,3S,6R)-3-hydroxy-6-[2-[methyl(2-phenylethyl)amino]ethyl]-N-phenyloxane-2-carboxamide (PubChem CID 163141781) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is (2S,3S,6R)-3-hydroxy-6-[2-[methyl(2-phenylethyl)amino]ethyl]-N-phenyloxane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,6R)-3-hydroxy-6-[2-[methyl(2-phenylethyl)amino]ethyl]-N-phenyloxane-2-carboxamide
PubChem CID163141781
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name(2S,3S,6R)-3-hydroxy-6-[2-[methyl(2-phenylethyl)amino]ethyl]-N-phenyloxane-2-carboxamide
SMILESCN(CCc1ccccc1)CC[C@H]1CC[C@H](O)[C@@H](C(=O)Nc2ccccc2)O1
InChIInChI=1S/C23H30N2O3/c1-25(16-14-18-8-4-2-5-9-18)17-15-20-12-13-21(26)22(28-20)23(27)24-19-10-6-3-7-11-19/h2-11,20-22,26H,12-17H2,1H3,(H,24,27)/t20-,21+,22+/m1/s1
InChIKeyKAYSPKCQKRVLJW-FSSWDIPSSA-N
XLogP3.10
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,3S,6R)-3-hydroxy-6-[2-[methyl(2-phenylethyl)amino]ethyl]-N-phenyloxane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S,6R)-N-benzyl-6-[2-[benzyl(methyl)amino]ethyl]-3-hydroxy-N-methyloxane-2-carboxamide
CID 163156617
(2S,3S,6S)-N-benzyl-3-hydroxy-N-methyl-6-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]oxane-2-carboxamide
CID 38025514
(2R,3S,6S)-N-benzyl-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-hydroxy-N-methyloxane-2-carboxamide
CID 163141301
(2S,5S)-2,5-bis(2-phenylethyl)oxolane
CID 11108749
N-(4-methylphenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 8785343
N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-2-phenylethanamine
CID 65486176
(2R,5S)-5-(2-phenylethyl)oxolan-2-ol
CID 86339415
3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
CID 60987692
ethyl 3-(phenylcarbamoyl)oxirane-2-carboxylate
CID 13150800
2-(cyclopropylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butanoic acid
CID 65487478
1-N-benzyl-1-N-methyl-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109135783
N-(4-aminophenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 65482728

Frequently Asked Questions

What is the IUPAC name of (2S,3S,6R)-3-hydroxy-6-[2-[methyl(2-phenylethyl)amino]ethyl]-N-phenyloxane-2-carboxamide?
The IUPAC name of (2S,3S,6R)-3-hydroxy-6-[2-[methyl(2-phenylethyl)amino]ethyl]-N-phenyloxane-2-carboxamide (CID 163141781) is (2S,3S,6R)-3-hydroxy-6-[2-[methyl(2-phenylethyl)amino]ethyl]-N-phenyloxane-2-carboxamide.
What is the SMILES notation for (2S,3S,6R)-3-hydroxy-6-[2-[methyl(2-phenylethyl)amino]ethyl]-N-phenyloxane-2-carboxamide?
The canonical SMILES for (2S,3S,6R)-3-hydroxy-6-[2-[methyl(2-phenylethyl)amino]ethyl]-N-phenyloxane-2-carboxamide is CN(CCc1ccccc1)CC[C@H]1CC[C@H](O)[C@@H](C(=O)Nc2ccccc2)O1.
What is the InChIKey of (2S,3S,6R)-3-hydroxy-6-[2-[methyl(2-phenylethyl)amino]ethyl]-N-phenyloxane-2-carboxamide?
The InChIKey is KAYSPKCQKRVLJW-FSSWDIPSSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-25(16-14-18-8-4-2-5-9-18)17-15-20-12-13-21(26)22(28-20)23(27)24-19-10-6-3-7-11-19/h2-11,20-22,26H,12-17H2,1H3,(H,24,27)/t20-,21+,22+/m1/s1.
What are the key properties of (2S,3S,6R)-3-hydroxy-6-[2-[methyl(2-phenylethyl)amino]ethyl]-N-phenyloxane-2-carboxamide?
(2S,3S,6R)-3-hydroxy-6-[2-[methyl(2-phenylethyl)amino]ethyl]-N-phenyloxane-2-carboxamide has a molecular weight of 382.50 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,6R)-3-hydroxy-6-[2-[methyl(2-phenylethyl)amino]ethyl]-N-phenyloxane-2-carboxamide is sourced from PubChem (CID 163141781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).