2-methoxy-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide

C14H21NO2 — CID 60638432

IUPAC2-methoxy-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
SMILESCOCC(=O)NC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-10(2)12-5-7-13(8-6-12)11(3)15-14(16)9-17-4/h5-8,10-11H,9H2,1-4H3,(H,15,16)
InChIKeyCAXMSIIJJRKPKI-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.63
Rot. Bonds5

About 2-methoxy-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide

2-methoxy-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide (PubChem CID 60638432) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methoxy-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
PubChem CID60638432
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-methoxy-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
SMILESCOCC(=O)NC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-10(2)12-5-7-13(8-6-12)11(3)15-14(16)9-17-4/h5-8,10-11H,9H2,1-4H3,(H,15,16)
InChIKeyCAXMSIIJJRKPKI-UHFFFAOYSA-N
XLogP2.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-2-methoxyacetamide
CID 18374039
2-methoxy-N-[(1S)-1-phenylethyl]acetamide
CID 835320
N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxyacetamide
CID 61278568
2-methoxy-N-(1-naphthalen-2-ylethyl)acetamide
CID 43011314
sodium;2-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide;(1R)-1-(4-methylphenyl)ethanamine;hydroxide
CID 157239049
3-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 51968699
3-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 61251261
N-[1-(4-chlorophenyl)ethyl]-2-(2-methoxyethoxy)acetamide
CID 78797053
2-(propan-2-ylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 60671194
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-methoxyacetamide
CID 35079410
2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182
2-methoxy-N-[4-[1-(methylamino)ethyl]phenyl]acetamide
CID 61279184

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-methoxy-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide (CID 60638432) is 2-methoxy-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-methoxy-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide is COCC(=O)NC(C)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-methoxy-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide?
The InChIKey is CAXMSIIJJRKPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(2)12-5-7-13(8-6-12)11(3)15-14(16)9-17-4/h5-8,10-11H,9H2,1-4H3,(H,15,16).
What are the key properties of 2-methoxy-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide?
2-methoxy-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide has a molecular weight of 235.33 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 60638432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).