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

C16H25NO3 — CID 122147349

IUPAC2-hydroxy-N-[3-(4-methoxyphenyl)-2-methylpropyl]-N,2-dimethylpropanamide
SMILESCOc1ccc(CC(C)CN(C)C(=O)C(C)(C)O)cc1
InChIInChI=1S/C16H25NO3/c1-12(11-17(4)15(18)16(2,3)19)10-13-6-8-14(20-5)9-7-13/h6-9,12,19H,10-11H2,1-5H3
InChIKeyHUJSGZHWFRRJPE-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.10
Rot. Bonds6

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

2-hydroxy-N-[3-(4-methoxyphenyl)-2-methylpropyl]-N,2-dimethylpropanamide (PubChem CID 122147349) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-hydroxy-N-[3-(4-methoxyphenyl)-2-methylpropyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-hydroxy-N-[3-(4-methoxyphenyl)-2-methylpropyl]-N,2-dimethylpropanamide
PubChem CID122147349
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-hydroxy-N-[3-(4-methoxyphenyl)-2-methylpropyl]-N,2-dimethylpropanamide
SMILESCOc1ccc(CC(C)CN(C)C(=O)C(C)(C)O)cc1
InChIInChI=1S/C16H25NO3/c1-12(11-17(4)15(18)16(2,3)19)10-13-6-8-14(20-5)9-7-13/h6-9,12,19H,10-11H2,1-5H3
InChIKeyHUJSGZHWFRRJPE-UHFFFAOYSA-N
XLogP2.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(4-methoxyphenyl)-2-methylpropyl]-methylcarbamoyl]benzoic acid
CID 120695866
4-(4-methoxyphenyl)-3-methylbutanal
CID 19846631
N-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide
CID 62333656
2-[(4-methoxyphenyl)methyl]-3-methylbutanoic acid
CID 69402022
3-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]propanoic acid
CID 122008074
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
1-(4-methoxyphenyl)-2-methylheptan-4-one
CID 83932106
2-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine
CID 97328084
3-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one
CID 67840542
ethane;formaldehyde;1-methoxy-4-[(2S)-2-methylbutyl]benzene
CID 171097729
2-amino-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54868494
3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2,3-tetramethylbutanamide
CID 65269943

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[3-(4-methoxyphenyl)-2-methylpropyl]-N,2-dimethylpropanamide?
The IUPAC name of 2-hydroxy-N-[3-(4-methoxyphenyl)-2-methylpropyl]-N,2-dimethylpropanamide (CID 122147349) is 2-hydroxy-N-[3-(4-methoxyphenyl)-2-methylpropyl]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-hydroxy-N-[3-(4-methoxyphenyl)-2-methylpropyl]-N,2-dimethylpropanamide?
The canonical SMILES for 2-hydroxy-N-[3-(4-methoxyphenyl)-2-methylpropyl]-N,2-dimethylpropanamide is COc1ccc(CC(C)CN(C)C(=O)C(C)(C)O)cc1.
What is the InChIKey of 2-hydroxy-N-[3-(4-methoxyphenyl)-2-methylpropyl]-N,2-dimethylpropanamide?
The InChIKey is HUJSGZHWFRRJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12(11-17(4)15(18)16(2,3)19)10-13-6-8-14(20-5)9-7-13/h6-9,12,19H,10-11H2,1-5H3.
What are the key properties of 2-hydroxy-N-[3-(4-methoxyphenyl)-2-methylpropyl]-N,2-dimethylpropanamide?
2-hydroxy-N-[3-(4-methoxyphenyl)-2-methylpropyl]-N,2-dimethylpropanamide has a molecular weight of 279.38 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[3-(4-methoxyphenyl)-2-methylpropyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 122147349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).