2-dodecoxy-2-phenoxyacetamide

C20H33NO3 — CID 139608663

IUPAC2-dodecoxy-2-phenoxyacetamide
SMILESCCCCCCCCCCCCOC(Oc1ccccc1)C(N)=O
InChIInChI=1S/C20H33NO3/c1-2-3-4-5-6-7-8-9-10-14-17-23-20(19(21)22)24-18-15-12-11-13-16-18/h11-13,15-16,20H,2-10,14,17H2,1H3,(H2,21,22)
InChIKeyPYLOWNCLKBCNPW-UHFFFAOYSA-N
MW335.49 g/mol
LogP4.81
Rot. Bonds15

About 2-dodecoxy-2-phenoxyacetamide

2-dodecoxy-2-phenoxyacetamide (PubChem CID 139608663) has the molecular formula C20H33NO3 and a molecular weight of 335.49 g/mol. Its IUPAC name is 2-dodecoxy-2-phenoxyacetamide.

Molecular Properties

Compound Name2-dodecoxy-2-phenoxyacetamide
PubChem CID139608663
Molecular FormulaC20H33NO3
Molecular Weight335.49 g/mol
Exact Mass335.25
IUPAC Name2-dodecoxy-2-phenoxyacetamide
SMILESCCCCCCCCCCCCOC(Oc1ccccc1)C(N)=O
InChIInChI=1S/C20H33NO3/c1-2-3-4-5-6-7-8-9-10-14-17-23-20(19(21)22)24-18-15-12-11-13-16-18/h11-13,15-16,20H,2-10,14,17H2,1H3,(H2,21,22)
InChIKeyPYLOWNCLKBCNPW-UHFFFAOYSA-N
XLogP4.81
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-dodecoxy-3-phenoxypropanoic acid
CID 54526950
ethyl 2-heptoxy-2-phenylacetate
CID 106676796
ethyl 2-phenoxydecanoate
CID 101000092
propyl 2-methoxy-2-phenoxyacetate
CID 139936534
methyl (2R)-2-decoxy-2-phenylacetate
CID 45114277
5-(1-hexadecoxy-3-phenoxypropan-2-yl)oxypentanoic acid
CID 90243035
1-O-octyl 4-O-(2-phenoxyethyl) benzene-1,4-dicarboxylate
CID 91741815
pentoxybenzene;undecane
CID 174778179
hexyl 4-(2-phenoxypropanoylamino)benzoate
CID 53265697
1-nonoxypropan-2-yloxybenzene
CID 154296421
dihexyl 2-phenylpropanedioate
CID 19931020
2-phenoxyhexadecanethioic S-acid
CID 142789333

Frequently Asked Questions

What is the IUPAC name of 2-dodecoxy-2-phenoxyacetamide?
The IUPAC name of 2-dodecoxy-2-phenoxyacetamide (CID 139608663) is 2-dodecoxy-2-phenoxyacetamide.
What is the SMILES notation for 2-dodecoxy-2-phenoxyacetamide?
The canonical SMILES for 2-dodecoxy-2-phenoxyacetamide is CCCCCCCCCCCCOC(Oc1ccccc1)C(N)=O.
What is the InChIKey of 2-dodecoxy-2-phenoxyacetamide?
The InChIKey is PYLOWNCLKBCNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO3/c1-2-3-4-5-6-7-8-9-10-14-17-23-20(19(21)22)24-18-15-12-11-13-16-18/h11-13,15-16,20H,2-10,14,17H2,1H3,(H2,21,22).
What are the key properties of 2-dodecoxy-2-phenoxyacetamide?
2-dodecoxy-2-phenoxyacetamide has a molecular weight of 335.49 g/mol, XLogP of 4.81, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecoxy-2-phenoxyacetamide is sourced from PubChem (CID 139608663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).