N-[2-(2-hydroxypentyl)-3-methoxyphenyl]-2,2-dimethylpropanamide

C17H27NO3 — CID 66978129

IUPACN-[2-(2-hydroxypentyl)-3-methoxyphenyl]-2,2-dimethylpropanamide
SMILESCCCC(O)Cc1c(NC(=O)C(C)(C)C)cccc1OC
InChIInChI=1S/C17H27NO3/c1-6-8-12(19)11-13-14(9-7-10-15(13)21-5)18-16(20)17(2,3)4/h7,9-10,12,19H,6,8,11H2,1-5H3,(H,18,20)
InChIKeyVTHNZMIDBNZWRG-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.38
Rot. Bonds6

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

N-[2-(2-hydroxypentyl)-3-methoxyphenyl]-2,2-dimethylpropanamide (PubChem CID 66978129) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[2-(2-hydroxypentyl)-3-methoxyphenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypentyl)-3-methoxyphenyl]-2,2-dimethylpropanamide
PubChem CID66978129
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[2-(2-hydroxypentyl)-3-methoxyphenyl]-2,2-dimethylpropanamide
SMILESCCCC(O)Cc1c(NC(=O)C(C)(C)C)cccc1OC
InChIInChI=1S/C17H27NO3/c1-6-8-12(19)11-13-14(9-7-10-15(13)21-5)18-16(20)17(2,3)4/h7,9-10,12,19H,6,8,11H2,1-5H3,(H,18,20)
InChIKeyVTHNZMIDBNZWRG-UHFFFAOYSA-N
XLogP3.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-hydroxypentyl)-3-methoxyphenyl]-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

N-[2-(2-hydroxypropyl)-3-methoxyphenyl]-2,2-dimethylpropanamide
CID 66977950
N-(2-ethenyl-3-methoxyphenyl)-2,2-dimethylpropanamide
CID 20571856
N-(2-methoxyphenyl)-2-propylpentanamide
CID 2995533
N-(2-hydroxypentyl)-2,6-dimethoxybenzamide
CID 115744628
2-hydroxy-N-(2-methoxyphenyl)-2-methylpropanamide
CID 22287395
(2S)-2-bromo-N-(2-methoxyphenyl)butanamide
CID 40932699
(2S)-2-(2-methoxyanilino)pentanoic acid
CID 40788460
N-(2-methoxyphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108966294
N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
CID 141287633
3-(2,6-dimethoxyphenyl)-N-(2-methoxyphenyl)propanamide
CID 100789518
2-cyano-N-(2-methoxyphenyl)-2-methylpropanamide
CID 60778681
N-[2-formyl-3-(methoxymethoxy)phenyl]-2,2-dimethylpropanamide
CID 21082663

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypentyl)-3-methoxyphenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(2-hydroxypentyl)-3-methoxyphenyl]-2,2-dimethylpropanamide (CID 66978129) is N-[2-(2-hydroxypentyl)-3-methoxyphenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(2-hydroxypentyl)-3-methoxyphenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(2-hydroxypentyl)-3-methoxyphenyl]-2,2-dimethylpropanamide is CCCC(O)Cc1c(NC(=O)C(C)(C)C)cccc1OC.
What is the InChIKey of N-[2-(2-hydroxypentyl)-3-methoxyphenyl]-2,2-dimethylpropanamide?
The InChIKey is VTHNZMIDBNZWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-6-8-12(19)11-13-14(9-7-10-15(13)21-5)18-16(20)17(2,3)4/h7,9-10,12,19H,6,8,11H2,1-5H3,(H,18,20).
What are the key properties of N-[2-(2-hydroxypentyl)-3-methoxyphenyl]-2,2-dimethylpropanamide?
N-[2-(2-hydroxypentyl)-3-methoxyphenyl]-2,2-dimethylpropanamide has a molecular weight of 293.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypentyl)-3-methoxyphenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 66978129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).