5-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxamide

C18H21NO4 — CID 649803

IUPAC5-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxamide
SMILESCc1oc(C(C)(C)C)cc1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H21NO4/c1-11-13(10-16(23-11)18(2,3)4)17(20)19-12-5-6-14-15(9-12)22-8-7-21-14/h5-6,9-10H,7-8H2,1-4H3,(H,19,20)
InChIKeySGEQUGSYPBOMNJ-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.91
Rot. Bonds2

About 5-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxamide

5-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxamide (PubChem CID 649803) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 5-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxamide
PubChem CID649803
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name5-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxamide
SMILESCc1oc(C(C)(C)C)cc1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H21NO4/c1-11-13(10-16(23-11)18(2,3)4)17(20)19-12-5-6-14-15(9-12)22-8-7-21-14/h5-6,9-10H,7-8H2,1-4H3,(H,19,20)
InChIKeySGEQUGSYPBOMNJ-UHFFFAOYSA-N
XLogP3.91
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide
CID 739217
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide
CID 2173748
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide
CID 769398
N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 730782
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzamide
CID 732529
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxybenzamide
CID 786352
2-methyl-N-(4-phenylmethoxyphenyl)furan-3-carboxamide
CID 800833
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 841491
N-[4-(benzyloxy)phenyl]-2,5-dimethyl-3-furamide
CID 1247120
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(furan-2-yl)prop-2-enamide
CID 2162339
N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-3-carboxamide
CID 2815845
N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3142819

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxamide (CID 649803) is 5-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxamide is Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 5-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxamide?
The InChIKey is SGEQUGSYPBOMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-11-13(10-16(23-11)18(2,3)4)17(20)19-12-5-6-14-15(9-12)22-8-7-21-14/h5-6,9-10H,7-8H2,1-4H3,(H,19,20).
What are the key properties of 5-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxamide?
5-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 649803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).