N-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C13H19NO2 — CID 112604930

IUPACN-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCc1cccc(NC(=O)COC(C)(C)C)c1
InChIInChI=1S/C13H19NO2/c1-10-6-5-7-11(8-10)14-12(15)9-16-13(2,3)4/h5-8H,9H2,1-4H3,(H,14,15)
InChIKeyKZLDKUCCFQAUDC-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.75
Rot. Bonds3

About N-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112604930) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112604930
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCc1cccc(NC(=O)COC(C)(C)C)c1
InChIInChI=1S/C13H19NO2/c1-10-6-5-7-11(8-10)14-12(15)9-16-13(2,3)4/h5-8H,9H2,1-4H3,(H,14,15)
InChIKeyKZLDKUCCFQAUDC-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-amino-2-methylpropan-2-yl)oxy-N-(3-methylphenyl)acetamide
CID 65053563
N-(3-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 28995366
N-(3-formylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106912441
[2-(3-methylanilino)-2-oxoethyl] acetate
CID 531943
N-(3-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 29002289
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
N-(3-fluoro-5-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605497
N-[3-[1-(methylamino)ethyl]phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602422
2-[(2-methylpropan-2-yl)oxy]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 115949897
N-(4-hydroxy-3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602921
N-(2,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604369
2-(2-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 747103

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112604930) is N-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is Cc1cccc(NC(=O)COC(C)(C)C)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is KZLDKUCCFQAUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-6-5-7-11(8-10)14-12(15)9-16-13(2,3)4/h5-8H,9H2,1-4H3,(H,14,15).
What are the key properties of N-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 221.30 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112604930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).