N-(3-tert-butylphenyl)-2-hydroxy-N-methylacetamide

C13H19NO2 — CID 142093725

IUPACN-(3-tert-butylphenyl)-2-hydroxy-N-methylacetamide
SMILESCN(C(=O)CO)c1cccc(C(C)(C)C)c1
InChIInChI=1S/C13H19NO2/c1-13(2,3)10-6-5-7-11(8-10)14(4)12(16)9-15/h5-8,15H,9H2,1-4H3
InChIKeyDKZLOASVLTXDHY-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.94
Rot. Bonds2

About N-(3-tert-butylphenyl)-2-hydroxy-N-methylacetamide

N-(3-tert-butylphenyl)-2-hydroxy-N-methylacetamide (PubChem CID 142093725) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(3-tert-butylphenyl)-2-hydroxy-N-methylacetamide.

Molecular Properties

Compound NameN-(3-tert-butylphenyl)-2-hydroxy-N-methylacetamide
PubChem CID142093725
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(3-tert-butylphenyl)-2-hydroxy-N-methylacetamide
SMILESCN(C(=O)CO)c1cccc(C(C)(C)C)c1
InChIInChI=1S/C13H19NO2/c1-13(2,3)10-6-5-7-11(8-10)14(4)12(16)9-15/h5-8,15H,9H2,1-4H3
InChIKeyDKZLOASVLTXDHY-UHFFFAOYSA-N
XLogP1.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
CID 70581132
2-[3-tert-butyl-N-(carboxymethyl)anilino]acetic acid
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N-(5-tert-butyl-2-methoxyphenyl)-2-hydroxy-N-methylacetamide
CID 115139672
3-tert-butyl-N-methyl-N-methylsulfanylaniline;molecular oxygen
CID 159516750
N-(3-tert-butylphenyl)-N'-hydroxy-4,4-dimethylpentanehydrazide
CID 151618640
2-hydroxy-N-methyl-N-(4-phenylphenyl)acetamide
CID 115139692
N-(2,6-dimethylphenyl)-2-hydroxy-N-methylacetamide
CID 70578533
4-(3-bromo-N-methylanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 115165263
2-amino-N-methyl-N-(3-methylphenyl)acetamide
CID 28794377
N-(4-tert-butylphenyl)-4-hydroxy-N-methylbutanamide
CID 115162843
2-[[2-[(3-tert-butylphenyl)-methylcarbamoyl]-1H-indol-5-yl]sulfanyl]acetic acid
CID 172609097
2-hydroxy-N-methyl-N-naphthalen-1-ylacetamide
CID 115139787

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butylphenyl)-2-hydroxy-N-methylacetamide?
The IUPAC name of N-(3-tert-butylphenyl)-2-hydroxy-N-methylacetamide (CID 142093725) is N-(3-tert-butylphenyl)-2-hydroxy-N-methylacetamide.
What is the SMILES notation for N-(3-tert-butylphenyl)-2-hydroxy-N-methylacetamide?
The canonical SMILES for N-(3-tert-butylphenyl)-2-hydroxy-N-methylacetamide is CN(C(=O)CO)c1cccc(C(C)(C)C)c1.
What is the InChIKey of N-(3-tert-butylphenyl)-2-hydroxy-N-methylacetamide?
The InChIKey is DKZLOASVLTXDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(2,3)10-6-5-7-11(8-10)14(4)12(16)9-15/h5-8,15H,9H2,1-4H3.
What are the key properties of N-(3-tert-butylphenyl)-2-hydroxy-N-methylacetamide?
N-(3-tert-butylphenyl)-2-hydroxy-N-methylacetamide has a molecular weight of 221.30 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butylphenyl)-2-hydroxy-N-methylacetamide is sourced from PubChem (CID 142093725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).