2-hydroxy-2-methyl-N-[2-(oxan-2-yl)ethyl]-3-phenylbutanamide

C18H27NO3 — CID 75475808

IUPAC2-hydroxy-2-methyl-N-[2-(oxan-2-yl)ethyl]-3-phenylbutanamide
SMILESCC(c1ccccc1)C(C)(O)C(=O)NCCC1CCCCO1
InChIInChI=1S/C18H27NO3/c1-14(15-8-4-3-5-9-15)18(2,21)17(20)19-12-11-16-10-6-7-13-22-16/h3-5,8-9,14,16,21H,6-7,10-13H2,1-2H3,(H,19,20)
InChIKeyGSJDHKBEDRPGKA-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.62
Rot. Bonds6

About 2-hydroxy-2-methyl-N-[2-(oxan-2-yl)ethyl]-3-phenylbutanamide

2-hydroxy-2-methyl-N-[2-(oxan-2-yl)ethyl]-3-phenylbutanamide (PubChem CID 75475808) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-N-[2-(oxan-2-yl)ethyl]-3-phenylbutanamide.

Molecular Properties

Compound Name2-hydroxy-2-methyl-N-[2-(oxan-2-yl)ethyl]-3-phenylbutanamide
PubChem CID75475808
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name2-hydroxy-2-methyl-N-[2-(oxan-2-yl)ethyl]-3-phenylbutanamide
SMILESCC(c1ccccc1)C(C)(O)C(=O)NCCC1CCCCO1
InChIInChI=1S/C18H27NO3/c1-14(15-8-4-3-5-9-15)18(2,21)17(20)19-12-11-16-10-6-7-13-22-16/h3-5,8-9,14,16,21H,6-7,10-13H2,1-2H3,(H,19,20)
InChIKeyGSJDHKBEDRPGKA-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-N-[2-(oxan-2-yl)ethyl]-3-phenylbutanamide?
The IUPAC name of 2-hydroxy-2-methyl-N-[2-(oxan-2-yl)ethyl]-3-phenylbutanamide (CID 75475808) is 2-hydroxy-2-methyl-N-[2-(oxan-2-yl)ethyl]-3-phenylbutanamide.
What is the SMILES notation for 2-hydroxy-2-methyl-N-[2-(oxan-2-yl)ethyl]-3-phenylbutanamide?
The canonical SMILES for 2-hydroxy-2-methyl-N-[2-(oxan-2-yl)ethyl]-3-phenylbutanamide is CC(c1ccccc1)C(C)(O)C(=O)NCCC1CCCCO1.
What is the InChIKey of 2-hydroxy-2-methyl-N-[2-(oxan-2-yl)ethyl]-3-phenylbutanamide?
The InChIKey is GSJDHKBEDRPGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-14(15-8-4-3-5-9-15)18(2,21)17(20)19-12-11-16-10-6-7-13-22-16/h3-5,8-9,14,16,21H,6-7,10-13H2,1-2H3,(H,19,20).
What are the key properties of 2-hydroxy-2-methyl-N-[2-(oxan-2-yl)ethyl]-3-phenylbutanamide?
2-hydroxy-2-methyl-N-[2-(oxan-2-yl)ethyl]-3-phenylbutanamide has a molecular weight of 305.42 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-N-[2-(oxan-2-yl)ethyl]-3-phenylbutanamide is sourced from PubChem (CID 75475808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).