N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(2-phenoxyethoxy)acetamide

C22H27NO5 — CID 55761073

IUPACN-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(2-phenoxyethoxy)acetamide
SMILESCC1(C)Cc2cccc(OCCNC(=O)COCCOc3ccccc3)c2O1
InChIInChI=1S/C22H27NO5/c1-22(2)15-17-7-6-10-19(21(17)28-22)27-12-11-23-20(24)16-25-13-14-26-18-8-4-3-5-9-18/h3-10H,11-16H2,1-2H3,(H,23,24)
InChIKeyYIUBRVQSPYQABC-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.99
Rot. Bonds10

About N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(2-phenoxyethoxy)acetamide

N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(2-phenoxyethoxy)acetamide (PubChem CID 55761073) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(2-phenoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(2-phenoxyethoxy)acetamide
PubChem CID55761073
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC NameN-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(2-phenoxyethoxy)acetamide
SMILESCC1(C)Cc2cccc(OCCNC(=O)COCCOc3ccccc3)c2O1
InChIInChI=1S/C22H27NO5/c1-22(2)15-17-7-6-10-19(21(17)28-22)27-12-11-23-20(24)16-25-13-14-26-18-8-4-3-5-9-18/h3-10H,11-16H2,1-2H3,(H,23,24)
InChIKeyYIUBRVQSPYQABC-UHFFFAOYSA-N
XLogP2.99
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chlorophenoxy)ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 4918924
3-(carbamoylamino)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide
CID 47031231
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3-phenylpropyl)acetamide
CID 8551560
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]cyclohexanecarboxamide
CID 39285980
N-[3-[2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55620462
N-[2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55637212
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 55637211
2-(4-cyanophenoxy)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide
CID 46401774
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-N',N'-dipropylpentanediamide
CID 56540773
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 30178068
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(methoxymethyl)benzamide
CID 39283875
3-cyano-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]benzamide
CID 31825043

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(2-phenoxyethoxy)acetamide?
The IUPAC name of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(2-phenoxyethoxy)acetamide (CID 55761073) is N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(2-phenoxyethoxy)acetamide.
What is the SMILES notation for N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(2-phenoxyethoxy)acetamide?
The canonical SMILES for N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(2-phenoxyethoxy)acetamide is CC1(C)Cc2cccc(OCCNC(=O)COCCOc3ccccc3)c2O1.
What is the InChIKey of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(2-phenoxyethoxy)acetamide?
The InChIKey is YIUBRVQSPYQABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-22(2)15-17-7-6-10-19(21(17)28-22)27-12-11-23-20(24)16-25-13-14-26-18-8-4-3-5-9-18/h3-10H,11-16H2,1-2H3,(H,23,24).
What are the key properties of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(2-phenoxyethoxy)acetamide?
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(2-phenoxyethoxy)acetamide has a molecular weight of 385.46 g/mol, XLogP of 2.99, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(2-phenoxyethoxy)acetamide is sourced from PubChem (CID 55761073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).