2-(4-phenoxybutoxy)acetamide

C12H17NO3 — CID 122703944

IUPAC2-(4-phenoxybutoxy)acetamide
SMILESNC(=O)COCCCCOc1ccccc1
InChIInChI=1S/C12H17NO3/c13-12(14)10-15-8-4-5-9-16-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H2,13,14)
InChIKeyKVLBQWBYXYDZRC-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.35
Rot. Bonds8

About 2-(4-phenoxybutoxy)acetamide

2-(4-phenoxybutoxy)acetamide (PubChem CID 122703944) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-(4-phenoxybutoxy)acetamide.

Molecular Properties

Compound Name2-(4-phenoxybutoxy)acetamide
PubChem CID122703944
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-(4-phenoxybutoxy)acetamide
SMILESNC(=O)COCCCCOc1ccccc1
InChIInChI=1S/C12H17NO3/c13-12(14)10-15-8-4-5-9-16-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H2,13,14)
InChIKeyKVLBQWBYXYDZRC-UHFFFAOYSA-N
XLogP1.35
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(7-phenoxyheptoxy)acetamide
CID 153330522
ethane;2-[4-(2-phenoxyethoxy)butoxy]acetamide
CID 142386396
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
potassium;hydride;2-phenoxyacetamide
CID 175513799
butyl 2-(2-phenoxyethoxy)acetate
CID 54941982
1,1'-biphenyl;2-phenoxyacetamide
CID 160961256
2-(4-butoxyphenoxy)acetamide
CID 22974475
3-(4-phenoxybutoxy)propan-1-amine
CID 82352658
2-(2-phenoxyethoxy)ethanethioamide
CID 24693091
4-[4-(4-phenoxybutoxy)butoxy]butyl 2-methylprop-2-enoate
CID 139664490
5-(4-phenoxybutoxy)pentan-1-amine
CID 82352887
9-phenoxynonanoic acid
CID 15887638

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxybutoxy)acetamide?
The IUPAC name of 2-(4-phenoxybutoxy)acetamide (CID 122703944) is 2-(4-phenoxybutoxy)acetamide.
What is the SMILES notation for 2-(4-phenoxybutoxy)acetamide?
The canonical SMILES for 2-(4-phenoxybutoxy)acetamide is NC(=O)COCCCCOc1ccccc1.
What is the InChIKey of 2-(4-phenoxybutoxy)acetamide?
The InChIKey is KVLBQWBYXYDZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c13-12(14)10-15-8-4-5-9-16-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H2,13,14).
What are the key properties of 2-(4-phenoxybutoxy)acetamide?
2-(4-phenoxybutoxy)acetamide has a molecular weight of 223.27 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxybutoxy)acetamide is sourced from PubChem (CID 122703944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).