N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide

C13H19NO2 — CID 110780628

IUPACN-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide
SMILESCOc1ccc(C(C)C)cc1CNC(C)=O
InChIInChI=1S/C13H19NO2/c1-9(2)11-5-6-13(16-4)12(7-11)8-14-10(3)15/h5-7,9H,8H2,1-4H3,(H,14,15)
InChIKeyZQOVBNDSZYYHRO-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.45
Rot. Bonds4

About N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide

N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide (PubChem CID 110780628) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide
PubChem CID110780628
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide
SMILESCOc1ccc(C(C)C)cc1CNC(C)=O
InChIInChI=1S/C13H19NO2/c1-9(2)11-5-6-13(16-4)12(7-11)8-14-10(3)15/h5-7,9H,8H2,1-4H3,(H,14,15)
InChIKeyZQOVBNDSZYYHRO-UHFFFAOYSA-N
XLogP2.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide
CID 94687136
N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2-sulfanylacetamide
CID 115167149
N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-3-sulfanylpropanamide
CID 115167836
N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-3-(methylamino)propanamide
CID 115153227
4-[(2-methoxy-5-propan-2-ylphenyl)methylamino]butan-2-one
CID 115235635
N-[(2-methoxy-5-methylphenyl)methyl]acetamide
CID 110779845
2-acetamido-N-(2-methoxy-5-propan-2-ylphenyl)acetamide
CID 71156213
N-[[2-methoxy-5-(methylamino)phenyl]methyl]acetamide
CID 67557905
2-amino-3-[(2-methoxy-5-propan-2-ylphenyl)methylamino]propanoic acid
CID 115240663
4-[(2-methoxy-5-propan-2-ylphenyl)methylamino]butanoic acid
CID 115218601
N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110793620
[(2-methoxy-5-propan-2-ylphenyl)methylamino]methanethiol
CID 115227896

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide?
The IUPAC name of N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide (CID 110780628) is N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide.
What is the SMILES notation for N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide?
The canonical SMILES for N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide is COc1ccc(C(C)C)cc1CNC(C)=O.
What is the InChIKey of N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide?
The InChIKey is ZQOVBNDSZYYHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9(2)11-5-6-13(16-4)12(7-11)8-14-10(3)15/h5-7,9H,8H2,1-4H3,(H,14,15).
What are the key properties of N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide?
N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide has a molecular weight of 221.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide is sourced from PubChem (CID 110780628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).