N-[2-(diethylamino)ethyl]-6-methyl-1-benzofuran-2-carboxamide

C16H22N2O2 — CID 84575561

IUPACN-[2-(diethylamino)ethyl]-6-methyl-1-benzofuran-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc2ccc(C)cc2o1
InChIInChI=1S/C16H22N2O2/c1-4-18(5-2)9-8-17-16(19)15-11-13-7-6-12(3)10-14(13)20-15/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,19)
InChIKeyPFQXMEQEDKVDLP-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.81
Rot. Bonds6

About N-[2-(diethylamino)ethyl]-6-methyl-1-benzofuran-2-carboxamide

N-[2-(diethylamino)ethyl]-6-methyl-1-benzofuran-2-carboxamide (PubChem CID 84575561) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-6-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-6-methyl-1-benzofuran-2-carboxamide
PubChem CID84575561
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[2-(diethylamino)ethyl]-6-methyl-1-benzofuran-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc2ccc(C)cc2o1
InChIInChI=1S/C16H22N2O2/c1-4-18(5-2)9-8-17-16(19)15-11-13-7-6-12(3)10-14(13)20-15/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,19)
InChIKeyPFQXMEQEDKVDLP-UHFFFAOYSA-N
XLogP2.81
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-6-methyl-1-benzofuran-2-carboxamide
CID 112529537
2-chloro-N-[2-(diethylamino)ethyl]-5-methylbenzamide
CID 142825813
N-[2-(diethylamino)ethyl]-2-fluoro-5-methylbenzamide
CID 62509349
1-(6-methyl-1-benzofuran-2-yl)ethanone
CID 159473013
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-1-benzofuran-2-carboxamide
CID 112528579
N-[2-(diethylamino)ethyl]-2-(3-methylphenyl)acetamide
CID 17144542
ethyl 2-(6-methyl-1-benzofuran-2-yl)-2-oxoacetate
CID 115072591
N-[2-(diethylamino)ethyl]-2,4,6-trimethylbenzamide;hydrochloride
CID 53439298
N-[2-(diethylamino)ethyl]-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide
CID 4107619
N-(3,5-dichlorophenyl)-6-methyl-1-benzofuran-2-carboxamide
CID 110476557
N-(3-chlorobutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 113272749
N-[3-(2-bromoethoxy)propyl]-5-methyl-1-benzofuran-2-carboxamide
CID 106307633

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-6-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-6-methyl-1-benzofuran-2-carboxamide (CID 84575561) is N-[2-(diethylamino)ethyl]-6-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-6-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-6-methyl-1-benzofuran-2-carboxamide is CCN(CC)CCNC(=O)c1cc2ccc(C)cc2o1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-6-methyl-1-benzofuran-2-carboxamide?
The InChIKey is PFQXMEQEDKVDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-18(5-2)9-8-17-16(19)15-11-13-7-6-12(3)10-14(13)20-15/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(diethylamino)ethyl]-6-methyl-1-benzofuran-2-carboxamide?
N-[2-(diethylamino)ethyl]-6-methyl-1-benzofuran-2-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-6-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 84575561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).