N-[1-(4-methoxyphenyl)propan-2-yl]acetamide

C12H17NO2 — CID 541955

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

About N-[1-(4-methoxyphenyl)propan-2-yl]acetamide

N-[1-(4-methoxyphenyl)propan-2-yl]acetamide (PubChem CID 541955) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propan-2-yl]acetamide
PubChem CID541955
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-[1-(4-methoxyphenyl)propan-2-yl]acetamide
SMILESCOc1ccc(CC(C)NC(C)=O)cc1
InChIInChI=1S/C12H17NO2/c1-9(13-10(2)14)8-11-4-6-12(15-3)7-5-11/h4-7,9H,8H2,1-3H3,(H,13,14)
InChIKeyYGLMBIHCBHUNBV-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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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propan-2-yl]acetamide?
The IUPAC name of N-[1-(4-methoxyphenyl)propan-2-yl]acetamide (CID 541955) is N-[1-(4-methoxyphenyl)propan-2-yl]acetamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propan-2-yl]acetamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)propan-2-yl]acetamide is COc1ccc(CC(C)NC(C)=O)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propan-2-yl]acetamide?
The InChIKey is YGLMBIHCBHUNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(13-10(2)14)8-11-4-6-12(15-3)7-5-11/h4-7,9H,8H2,1-3H3,(H,13,14).
What are the key properties of N-[1-(4-methoxyphenyl)propan-2-yl]acetamide?
N-[1-(4-methoxyphenyl)propan-2-yl]acetamide 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 N-[1-(4-methoxyphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 541955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).