3-hydroxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylpropanamide

C13H19NO3 — CID 66746123

IUPAC3-hydroxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylpropanamide
SMILESCOc1cccc(CNC(=O)C(C)(C)CO)c1
InChIInChI=1S/C13H19NO3/c1-13(2,9-15)12(16)14-8-10-5-4-6-11(7-10)17-3/h4-7,15H,8-9H2,1-3H3,(H,14,16)
InChIKeyDOEZFGCEUUKCPX-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.33
Rot. Bonds5

About 3-hydroxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylpropanamide

3-hydroxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylpropanamide (PubChem CID 66746123) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-hydroxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-hydroxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylpropanamide
PubChem CID66746123
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-hydroxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylpropanamide
SMILESCOc1cccc(CNC(=O)C(C)(C)CO)c1
InChIInChI=1S/C13H19NO3/c1-13(2,9-15)12(16)14-8-10-5-4-6-11(7-10)17-3/h4-7,15H,8-9H2,1-3H3,(H,14,16)
InChIKeyDOEZFGCEUUKCPX-UHFFFAOYSA-N
XLogP1.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2,2,2-trifluoro-N-[(3-methoxyphenyl)methyl]acetamide
CID 143097704
1-(3,3-dimethylbutyl)-3-[(3-methoxyphenyl)methyl]urea
CID 38270007
N'-[(3-methoxyphenyl)methyl]-N-methyloxamide
CID 2206408
N'-[(3-methoxyphenyl)methyl]oxamide
CID 69052749
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
(2R)-2,4-dihydroxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 25171374
3,3,3-trifluoro-N-[(3-methoxyphenyl)methyl]propanamide
CID 51076753
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
1-[(3-methoxyphenyl)methyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108898360
3-chloro-N-[(3-ethoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 55245625
1-[(3-methoxyphenyl)methyl]-3-[2-[3-[2-[(3-methoxyphenyl)methylcarbamoylamino]propan-2-yl]phenyl]propan-2-yl]urea
CID 27060588
3-amino-N-[(3-ethoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 81489935

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-hydroxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylpropanamide (CID 66746123) is 3-hydroxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-hydroxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-hydroxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylpropanamide is COc1cccc(CNC(=O)C(C)(C)CO)c1.
What is the InChIKey of 3-hydroxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylpropanamide?
The InChIKey is DOEZFGCEUUKCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2,9-15)12(16)14-8-10-5-4-6-11(7-10)17-3/h4-7,15H,8-9H2,1-3H3,(H,14,16).
What are the key properties of 3-hydroxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylpropanamide?
3-hydroxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylpropanamide has a molecular weight of 237.30 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 66746123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).