N-tert-butyl-2-hydroxy-4-phenylbutanamide

C14H21NO2 — CID 72998744

IUPACN-tert-butyl-2-hydroxy-4-phenylbutanamide
SMILESCC(C)(C)NC(=O)C(O)CCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-14(2,3)15-13(17)12(16)10-9-11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H,15,17)
InChIKeyBYNPOAFQNLYTPD-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.89
Rot. Bonds4

About N-tert-butyl-2-hydroxy-4-phenylbutanamide

N-tert-butyl-2-hydroxy-4-phenylbutanamide (PubChem CID 72998744) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-tert-butyl-2-hydroxy-4-phenylbutanamide.

Molecular Properties

Compound NameN-tert-butyl-2-hydroxy-4-phenylbutanamide
PubChem CID72998744
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-tert-butyl-2-hydroxy-4-phenylbutanamide
SMILESCC(C)(C)NC(=O)C(O)CCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-14(2,3)15-13(17)12(16)10-9-11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H,15,17)
InChIKeyBYNPOAFQNLYTPD-UHFFFAOYSA-N
XLogP1.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-hydroxy-4-phenylbutanamide?
The IUPAC name of N-tert-butyl-2-hydroxy-4-phenylbutanamide (CID 72998744) is N-tert-butyl-2-hydroxy-4-phenylbutanamide.
What is the SMILES notation for N-tert-butyl-2-hydroxy-4-phenylbutanamide?
The canonical SMILES for N-tert-butyl-2-hydroxy-4-phenylbutanamide is CC(C)(C)NC(=O)C(O)CCc1ccccc1.
What is the InChIKey of N-tert-butyl-2-hydroxy-4-phenylbutanamide?
The InChIKey is BYNPOAFQNLYTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2,3)15-13(17)12(16)10-9-11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H,15,17).
What are the key properties of N-tert-butyl-2-hydroxy-4-phenylbutanamide?
N-tert-butyl-2-hydroxy-4-phenylbutanamide has a molecular weight of 235.33 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-hydroxy-4-phenylbutanamide is sourced from PubChem (CID 72998744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).