2-ethyl-N-(oxan-4-yl)-N-propan-2-yl-1-benzofuran-3-carboxamide

C19H25NO3 — CID 126769688

IUPAC2-ethyl-N-(oxan-4-yl)-N-propan-2-yl-1-benzofuran-3-carboxamide
SMILESCCc1oc2ccccc2c1C(=O)N(C(C)C)C1CCOCC1
InChIInChI=1S/C19H25NO3/c1-4-16-18(15-7-5-6-8-17(15)23-16)19(21)20(13(2)3)14-9-11-22-12-10-14/h5-8,13-14H,4,9-12H2,1-3H3
InChIKeyFZQMWIZVZSWTFG-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.02
Rot. Bonds4

About 2-ethyl-N-(oxan-4-yl)-N-propan-2-yl-1-benzofuran-3-carboxamide

2-ethyl-N-(oxan-4-yl)-N-propan-2-yl-1-benzofuran-3-carboxamide (PubChem CID 126769688) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-ethyl-N-(oxan-4-yl)-N-propan-2-yl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(oxan-4-yl)-N-propan-2-yl-1-benzofuran-3-carboxamide
PubChem CID126769688
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-ethyl-N-(oxan-4-yl)-N-propan-2-yl-1-benzofuran-3-carboxamide
SMILESCCc1oc2ccccc2c1C(=O)N(C(C)C)C1CCOCC1
InChIInChI=1S/C19H25NO3/c1-4-16-18(15-7-5-6-8-17(15)23-16)19(21)20(13(2)3)14-9-11-22-12-10-14/h5-8,13-14H,4,9-12H2,1-3H3
InChIKeyFZQMWIZVZSWTFG-UHFFFAOYSA-N
XLogP4.02
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 53468653
5-ethoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide
CID 782051
(E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-3-(4-phenylphenyl)prop-2-en-1-amine;hydrochloride
CID 137643139
5-methoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide
CID 679872
(4-Benzylpiperidin-1-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 1245621
[1-(3-Furoyl)-3-piperidinyl](3-isopropoxyphenyl)methanone
CID 16189901
3,4-dihydro-1H-isoquinolin-2-yl-(2,5-dimethylfuran-3-yl)methanone
CID 18108187
1-(Diphenylmethyl)-4-(2-methyl-3-furoyl)piperazine
CID 1293145
2-methyl-N-(4-phenylbutan-2-yl)furan-3-carboxamide
CID 2933467
1-(2-Ethyl-benzofuran-3-yl)-3-piperidin-1-yl-propan-1-one
CID 6603145
N,N-diethyl-5-methoxy-2-phenyl-1-benzofuran-3-carboxamide
CID 913233
2-(4-fluorophenyl)-N-methyl-5-[3-(propan-2-ylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide
CID 53468460

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(oxan-4-yl)-N-propan-2-yl-1-benzofuran-3-carboxamide?
The IUPAC name of 2-ethyl-N-(oxan-4-yl)-N-propan-2-yl-1-benzofuran-3-carboxamide (CID 126769688) is 2-ethyl-N-(oxan-4-yl)-N-propan-2-yl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-(oxan-4-yl)-N-propan-2-yl-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-ethyl-N-(oxan-4-yl)-N-propan-2-yl-1-benzofuran-3-carboxamide is CCc1oc2ccccc2c1C(=O)N(C(C)C)C1CCOCC1.
What is the InChIKey of 2-ethyl-N-(oxan-4-yl)-N-propan-2-yl-1-benzofuran-3-carboxamide?
The InChIKey is FZQMWIZVZSWTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-4-16-18(15-7-5-6-8-17(15)23-16)19(21)20(13(2)3)14-9-11-22-12-10-14/h5-8,13-14H,4,9-12H2,1-3H3.
What are the key properties of 2-ethyl-N-(oxan-4-yl)-N-propan-2-yl-1-benzofuran-3-carboxamide?
2-ethyl-N-(oxan-4-yl)-N-propan-2-yl-1-benzofuran-3-carboxamide has a molecular weight of 315.41 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(oxan-4-yl)-N-propan-2-yl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 126769688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).