N-(2-butoxyphenyl)acetamide

C12H17NO2 — CID 10756

IUPACN-(2-butoxyphenyl)acetamide
SMILESCCCCOc1ccccc1NC(C)=O
InChIInChI=1S/C12H17NO2/c1-3-4-9-15-12-8-6-5-7-11(12)13-10(2)14/h5-8H,3-4,9H2,1-2H3,(H,13,14)
InChIKeyMJELWGXEQOCGGW-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.82
Rot. Bonds5

About N-(2-butoxyphenyl)acetamide

N-(2-butoxyphenyl)acetamide (PubChem CID 10756) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-(2-butoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-butoxyphenyl)acetamide
PubChem CID10756
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-(2-butoxyphenyl)acetamide
SMILESCCCCOc1ccccc1NC(C)=O
InChIInChI=1S/C12H17NO2/c1-3-4-9-15-12-8-6-5-7-11(12)13-10(2)14/h5-8H,3-4,9H2,1-2H3,(H,13,14)
InChIKeyMJELWGXEQOCGGW-UHFFFAOYSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyphenyl)acetamide?
The IUPAC name of N-(2-butoxyphenyl)acetamide (CID 10756) is N-(2-butoxyphenyl)acetamide.
What is the SMILES notation for N-(2-butoxyphenyl)acetamide?
The canonical SMILES for N-(2-butoxyphenyl)acetamide is CCCCOc1ccccc1NC(C)=O.
What is the InChIKey of N-(2-butoxyphenyl)acetamide?
The InChIKey is MJELWGXEQOCGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-4-9-15-12-8-6-5-7-11(12)13-10(2)14/h5-8H,3-4,9H2,1-2H3,(H,13,14).
What are the key properties of N-(2-butoxyphenyl)acetamide?
N-(2-butoxyphenyl)acetamide has a molecular weight of 207.27 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyphenyl)acetamide is sourced from PubChem (CID 10756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).