beta-Ethyl-beta-hydroxybenzenepropanamide

C11H15NO2 — CID 64814

IUPAC3-hydroxy-3-phenylpentanamide
SMILESCCC(CC(=O)N)(C1=CC=CC=C1)O
InChIInChI=1S/C11H15NO2/c1-2-11(14,8-10(12)13)9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3,(H2,12,13)
InChIKeyMOHYRCCDARWQRM-UHFFFAOYSA-N
MW193.24 g/mol
LogP0.60
Rot. Bonds4

About beta-Ethyl-beta-hydroxybenzenepropanamide

beta-Ethyl-beta-hydroxybenzenepropanamide (PubChem CID 64814) has the molecular formula C11H15NO2 and a molecular weight of 193.24 g/mol. Its IUPAC name is 3-hydroxy-3-phenylpentanamide.

Molecular Properties

Compound Namebeta-Ethyl-beta-hydroxybenzenepropanamide
PubChem CID64814
Molecular FormulaC11H15NO2
Molecular Weight193.24 g/mol
Exact Mass193.11
IUPAC Name3-hydroxy-3-phenylpentanamide
SMILESCCC(CC(=O)N)(C1=CC=CC=C1)O
InChIInChI=1S/C11H15NO2/c1-2-11(14,8-10(12)13)9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3,(H2,12,13)
InChIKeyMOHYRCCDARWQRM-UHFFFAOYSA-N
XLogP0.60
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity199

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of beta-Ethyl-beta-hydroxybenzenepropanamide?
The IUPAC name of beta-Ethyl-beta-hydroxybenzenepropanamide (CID 64814) is 3-hydroxy-3-phenylpentanamide.
What is the SMILES notation for beta-Ethyl-beta-hydroxybenzenepropanamide?
The canonical SMILES for beta-Ethyl-beta-hydroxybenzenepropanamide is CCC(CC(=O)N)(C1=CC=CC=C1)O.
What is the InChIKey of beta-Ethyl-beta-hydroxybenzenepropanamide?
The InChIKey is MOHYRCCDARWQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-11(14,8-10(12)13)9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3,(H2,12,13).
What are the key properties of beta-Ethyl-beta-hydroxybenzenepropanamide?
beta-Ethyl-beta-hydroxybenzenepropanamide has a molecular weight of 193.24 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for beta-Ethyl-beta-hydroxybenzenepropanamide is sourced from PubChem (CID 64814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).