N-(4-acetamidobutyl)-2-phenoxyacetamide

C14H20N2O3 — CID 110358551

IUPACN-(4-acetamidobutyl)-2-phenoxyacetamide
SMILESCC(=O)NCCCCNC(=O)COc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-12(17)15-9-5-6-10-16-14(18)11-19-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-11H2,1H3,(H,15,17)(H,16,18)
InChIKeyKEXPDFOUFHMLTF-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.10
Rot. Bonds8

About N-(4-acetamidobutyl)-2-phenoxyacetamide

N-(4-acetamidobutyl)-2-phenoxyacetamide (PubChem CID 110358551) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(4-acetamidobutyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(4-acetamidobutyl)-2-phenoxyacetamide
PubChem CID110358551
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-(4-acetamidobutyl)-2-phenoxyacetamide
SMILESCC(=O)NCCCCNC(=O)COc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-12(17)15-9-5-6-10-16-14(18)11-19-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-11H2,1H3,(H,15,17)(H,16,18)
InChIKeyKEXPDFOUFHMLTF-UHFFFAOYSA-N
XLogP1.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(8-oxononyl)-2-phenoxyacetamide
CID 157092159
N-(6-bromohexyl)-2-phenoxyacetamide
CID 114008509
N-(3-acetamidopropyl)-2-(4-methylphenoxy)acetamide
CID 110292109
N-[4-(diethylamino)butyl]-2-phenoxyacetamide
CID 110442217
N-hex-5-ynyl-2-phenoxyacetamide
CID 103758132
2-(4-acetamidophenoxy)-N-(3-phenylpropyl)acetamide
CID 2439696
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656
2-phenoxy-N-(3-sulfamoylpropyl)acetamide
CID 47336951
2-(4-bromophenoxy)-N-(3-phenoxypropyl)acetamide
CID 9245994
N-(2-acetamidoethyl)-2-naphthalen-2-yloxyacetamide
CID 7942082
methyl (2R)-2,6-bis[(2-phenoxyacetyl)amino]hexanoate
CID 7897076

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidobutyl)-2-phenoxyacetamide?
The IUPAC name of N-(4-acetamidobutyl)-2-phenoxyacetamide (CID 110358551) is N-(4-acetamidobutyl)-2-phenoxyacetamide.
What is the SMILES notation for N-(4-acetamidobutyl)-2-phenoxyacetamide?
The canonical SMILES for N-(4-acetamidobutyl)-2-phenoxyacetamide is CC(=O)NCCCCNC(=O)COc1ccccc1.
What is the InChIKey of N-(4-acetamidobutyl)-2-phenoxyacetamide?
The InChIKey is KEXPDFOUFHMLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-12(17)15-9-5-6-10-16-14(18)11-19-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-11H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(4-acetamidobutyl)-2-phenoxyacetamide?
N-(4-acetamidobutyl)-2-phenoxyacetamide has a molecular weight of 264.32 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidobutyl)-2-phenoxyacetamide is sourced from PubChem (CID 110358551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).