N-butyl-2-phenoxyacetamide

C12H17NO2 — CID 5011881

IUPACN-butyl-2-phenoxyacetamide
SMILESCCCCNC(=O)COc1ccccc1
InChIInChI=1S/C12H17NO2/c1-2-3-9-13-12(14)10-15-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,13,14)
InChIKeyBDZRCGPKMDTAFT-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.98
Rot. Bonds6

About N-butyl-2-phenoxyacetamide

N-butyl-2-phenoxyacetamide (PubChem CID 5011881) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-butyl-2-phenoxyacetamide.

Molecular Properties

Compound NameN-butyl-2-phenoxyacetamide
PubChem CID5011881
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-butyl-2-phenoxyacetamide
SMILESCCCCNC(=O)COc1ccccc1
InChIInChI=1S/C12H17NO2/c1-2-3-9-13-12(14)10-15-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,13,14)
InChIKeyBDZRCGPKMDTAFT-UHFFFAOYSA-N
XLogP1.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.98
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-butyl-2-phenoxyacetamide?
The IUPAC name of N-butyl-2-phenoxyacetamide (CID 5011881) is N-butyl-2-phenoxyacetamide.
What is the SMILES notation for N-butyl-2-phenoxyacetamide?
The canonical SMILES for N-butyl-2-phenoxyacetamide is CCCCNC(=O)COc1ccccc1.
What is the InChIKey of N-butyl-2-phenoxyacetamide?
The InChIKey is BDZRCGPKMDTAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-3-9-13-12(14)10-15-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,13,14).
What are the key properties of N-butyl-2-phenoxyacetamide?
N-butyl-2-phenoxyacetamide has a molecular weight of 207.27 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-phenoxyacetamide is sourced from PubChem (CID 5011881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).