N-[(3-tert-butyl-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide

C15H23NO3 — CID 115139923

IUPACN-[(3-tert-butyl-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)CO)cc1C(C)(C)C
InChIInChI=1S/C15H23NO3/c1-15(2,3)12-8-11(6-7-13(12)19-5)9-16(4)14(18)10-17/h6-8,17H,9-10H2,1-5H3
InChIKeyPLDXCJRRJAARJP-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.94
Rot. Bonds4

About N-[(3-tert-butyl-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide

N-[(3-tert-butyl-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide (PubChem CID 115139923) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[(3-tert-butyl-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
PubChem CID115139923
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[(3-tert-butyl-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)CO)cc1C(C)(C)C
InChIInChI=1S/C15H23NO3/c1-15(2,3)12-8-11(6-7-13(12)19-5)9-16(4)14(18)10-17/h6-8,17H,9-10H2,1-5H3
InChIKeyPLDXCJRRJAARJP-UHFFFAOYSA-N
XLogP1.94
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 14117549
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
2-[(3-tert-butyl-4-methoxyphenyl)methyl-methylamino]acetamide
CID 115259966
1-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1-methylurea
CID 115168613
[(3-tert-butyl-4-methoxyphenyl)methyl-methylamino]methanethiol
CID 115228051
2-[(3-tert-butyl-4-methoxyphenyl)methyl-methylamino]acetaldehyde
CID 115223039
2-(3-tert-butyl-4-methoxyphenyl)-N',N'-dimethylacetohydrazide
CID 116847423
methyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate
CID 82553687
2-hydroxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 115140024
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128249
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide
CID 115178823
methyl N-[(3-tert-butyl-4-methoxyphenyl)methyl]carbamate
CID 110780471

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide?
The IUPAC name of N-[(3-tert-butyl-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide (CID 115139923) is N-[(3-tert-butyl-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide.
What is the SMILES notation for N-[(3-tert-butyl-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide?
The canonical SMILES for N-[(3-tert-butyl-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide is COc1ccc(CN(C)C(=O)CO)cc1C(C)(C)C.
What is the InChIKey of N-[(3-tert-butyl-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide?
The InChIKey is PLDXCJRRJAARJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(2,3)12-8-11(6-7-13(12)19-5)9-16(4)14(18)10-17/h6-8,17H,9-10H2,1-5H3.
What are the key properties of N-[(3-tert-butyl-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide?
N-[(3-tert-butyl-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide has a molecular weight of 265.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide is sourced from PubChem (CID 115139923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).