(2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-methoxy-2-phenylacetamide

C23H31NO4 — CID 118730004

IUPAC(2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-methoxy-2-phenylacetamide
SMILESCCCC(C)COc1ccc([C@H](CO)NC(=O)[C@@H](OC)c2ccccc2)cc1
InChIInChI=1S/C23H31NO4/c1-4-8-17(2)16-28-20-13-11-18(12-14-20)21(15-25)24-23(26)22(27-3)19-9-6-5-7-10-19/h5-7,9-14,17,21-22,25H,4,8,15-16H2,1-3H3,(H,24,26)/t17?,21-,22-/m0/s1
InChIKeyWNZTYSXRFYQBCW-VNQANMTISA-N
MW385.50 g/mol
LogP4.04
Rot. Bonds11

About (2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-methoxy-2-phenylacetamide

(2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-methoxy-2-phenylacetamide (PubChem CID 118730004) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is (2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-methoxy-2-phenylacetamide
PubChem CID118730004
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Name(2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-methoxy-2-phenylacetamide
SMILESCCCC(C)COc1ccc([C@H](CO)NC(=O)[C@@H](OC)c2ccccc2)cc1
InChIInChI=1S/C23H31NO4/c1-4-8-17(2)16-28-20-13-11-18(12-14-20)21(15-25)24-23(26)22(27-3)19-9-6-5-7-10-19/h5-7,9-14,17,21-22,25H,4,8,15-16H2,1-3H3,(H,24,26)/t17?,21-,22-/m0/s1
InChIKeyWNZTYSXRFYQBCW-VNQANMTISA-N
XLogP4.04
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-methoxy-2-phenylacetamide?
The IUPAC name of (2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-methoxy-2-phenylacetamide (CID 118730004) is (2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for (2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-methoxy-2-phenylacetamide?
The canonical SMILES for (2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-methoxy-2-phenylacetamide is CCCC(C)COc1ccc([C@H](CO)NC(=O)[C@@H](OC)c2ccccc2)cc1.
What is the InChIKey of (2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-methoxy-2-phenylacetamide?
The InChIKey is WNZTYSXRFYQBCW-VNQANMTISA-N. The full InChI is InChI=1S/C23H31NO4/c1-4-8-17(2)16-28-20-13-11-18(12-14-20)21(15-25)24-23(26)22(27-3)19-9-6-5-7-10-19/h5-7,9-14,17,21-22,25H,4,8,15-16H2,1-3H3,(H,24,26)/t17?,21-,22-/m0/s1.
What are the key properties of (2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-methoxy-2-phenylacetamide?
(2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-methoxy-2-phenylacetamide has a molecular weight of 385.50 g/mol, XLogP of 4.04, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 118730004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).