3-hydroxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]propanamide

C14H21NO3 — CID 115139502

IUPAC3-hydroxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]propanamide
SMILESCOc1ccc(C(C)(C)CNC(=O)CCO)cc1
InChIInChI=1S/C14H21NO3/c1-14(2,10-15-13(17)8-9-16)11-4-6-12(18-3)7-5-11/h4-7,16H,8-10H2,1-3H3,(H,15,17)
InChIKeyFWZVFVZFNRJVLA-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.47
Rot. Bonds6

About 3-hydroxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]propanamide

3-hydroxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]propanamide (PubChem CID 115139502) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-hydroxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]propanamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]propanamide
PubChem CID115139502
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-hydroxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]propanamide
SMILESCOc1ccc(C(C)(C)CNC(=O)CCO)cc1
InChIInChI=1S/C14H21NO3/c1-14(2,10-15-13(17)8-9-16)11-4-6-12(18-3)7-5-11/h4-7,16H,8-10H2,1-3H3,(H,15,17)
InChIKeyFWZVFVZFNRJVLA-UHFFFAOYSA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)-2-methylpropyl]pentanamide
CID 113090425
4-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]butanamide
CID 110460825
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 111505453
N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(4-methylphenoxy)acetamide
CID 113090463
N-[2-(4-methoxyphenyl)-2-methylpropyl]-4-(trifluoromethyl)benzamide
CID 113090468
3-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride
CID 119950814
2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 113090470
N-[2-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide
CID 115163181
N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119758276
3-(4-methoxyphenyl)-3-methylbutanamide
CID 50995659
1-hydroxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide
CID 111102357
N-tert-butyl-2-[[N-[2-(4-methoxyphenyl)-2-methylpropyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111384357

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]propanamide?
The IUPAC name of 3-hydroxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]propanamide (CID 115139502) is 3-hydroxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]propanamide.
What is the SMILES notation for 3-hydroxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]propanamide?
The canonical SMILES for 3-hydroxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]propanamide is COc1ccc(C(C)(C)CNC(=O)CCO)cc1.
What is the InChIKey of 3-hydroxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]propanamide?
The InChIKey is FWZVFVZFNRJVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2,10-15-13(17)8-9-16)11-4-6-12(18-3)7-5-11/h4-7,16H,8-10H2,1-3H3,(H,15,17).
What are the key properties of 3-hydroxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]propanamide?
3-hydroxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]propanamide has a molecular weight of 251.33 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]propanamide is sourced from PubChem (CID 115139502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).