2-(4-methoxyphenyl)-N-propan-2-ylacetamide

C12H17NO2 — CID 813075

IUPAC2-(4-methoxyphenyl)-N-propan-2-ylacetamide
SMILESCOc1ccc(CC(=O)NC(C)C)cc1
InChIInChI=1S/C12H17NO2/c1-9(2)13-12(14)8-10-4-6-11(15-3)7-5-10/h4-7,9H,8H2,1-3H3,(H,13,14)
InChIKeyGWPURNRNXJZZBF-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.76
Rot. Bonds4

About 2-(4-methoxyphenyl)-N-propan-2-ylacetamide

2-(4-methoxyphenyl)-N-propan-2-ylacetamide (PubChem CID 813075) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-propan-2-ylacetamide
PubChem CID813075
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(4-methoxyphenyl)-N-propan-2-ylacetamide
SMILESCOc1ccc(CC(=O)NC(C)C)cc1
InChIInChI=1S/C12H17NO2/c1-9(2)13-12(14)8-10-4-6-11(15-3)7-5-10/h4-7,9H,8H2,1-3H3,(H,13,14)
InChIKeyGWPURNRNXJZZBF-UHFFFAOYSA-N
XLogP1.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanoic acid
CID 42254545
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
N-[(4-methoxyphenyl)methyl]-N'-propan-2-ylpropanediamide
CID 108940806
N-[(2R)-1-aminopropan-2-yl]-2-(4-methoxyphenyl)acetamide
CID 104872813
N-(1-bromopropan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 114310520
2-[(4-methoxyphenyl)methylsulfanyl]-N-propan-2-ylacetamide
CID 53279539
N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 65315308
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-methoxyphenyl)acetate
CID 2519882
N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]-2-(4-methoxyphenyl)acetamide
CID 39819173
2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylacetamide
CID 78814712
N-(1-bromo-4-methylpentan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 114311652
2-[4-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]-N-propan-2-ylacetamide
CID 55610566

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-propan-2-ylacetamide (CID 813075) is 2-(4-methoxyphenyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-propan-2-ylacetamide is COc1ccc(CC(=O)NC(C)C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-propan-2-ylacetamide?
The InChIKey is GWPURNRNXJZZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(2)13-12(14)8-10-4-6-11(15-3)7-5-10/h4-7,9H,8H2,1-3H3,(H,13,14).
What are the key properties of 2-(4-methoxyphenyl)-N-propan-2-ylacetamide?
2-(4-methoxyphenyl)-N-propan-2-ylacetamide has a molecular weight of 207.27 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 813075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).