3-hydroxy-3-(2-methylphenyl)propanamide

C10H13NO2 — CID 3035779

IUPAC3-hydroxy-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1C(O)CC(N)=O
InChIInChI=1S/C10H13NO2/c1-7-4-2-3-5-8(7)9(12)6-10(11)13/h2-5,9,12H,6H2,1H3,(H2,11,13)
InChIKeyLKTRKUPEDMMAQL-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.90
Rot. Bonds3

About 3-hydroxy-3-(2-methylphenyl)propanamide

3-hydroxy-3-(2-methylphenyl)propanamide (PubChem CID 3035779) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-hydroxy-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-hydroxy-3-(2-methylphenyl)propanamide
PubChem CID3035779
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name3-hydroxy-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1C(O)CC(N)=O
InChIInChI=1S/C10H13NO2/c1-7-4-2-3-5-8(7)9(12)6-10(11)13/h2-5,9,12H,6H2,1H3,(H2,11,13)
InChIKeyLKTRKUPEDMMAQL-UHFFFAOYSA-N
XLogP0.90
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(2-methylphenyl)propanamide?
The IUPAC name of 3-hydroxy-3-(2-methylphenyl)propanamide (CID 3035779) is 3-hydroxy-3-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-hydroxy-3-(2-methylphenyl)propanamide?
The canonical SMILES for 3-hydroxy-3-(2-methylphenyl)propanamide is Cc1ccccc1C(O)CC(N)=O.
What is the InChIKey of 3-hydroxy-3-(2-methylphenyl)propanamide?
The InChIKey is LKTRKUPEDMMAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-4-2-3-5-8(7)9(12)6-10(11)13/h2-5,9,12H,6H2,1H3,(H2,11,13).
What are the key properties of 3-hydroxy-3-(2-methylphenyl)propanamide?
3-hydroxy-3-(2-methylphenyl)propanamide has a molecular weight of 179.22 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 3035779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).