3-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide

C23H24N2O5 — CID 46281645

IUPAC3-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1c(C(=O)N(Cc2ccco2)CC2CCCO2)oc2ccccc12)C1CC1
InChIInChI=1S/C23H24N2O5/c26-22(15-9-10-15)24-20-18-7-1-2-8-19(18)30-21(20)23(27)25(13-16-5-3-11-28-16)14-17-6-4-12-29-17/h1-3,5,7-8,11,15,17H,4,6,9-10,12-14H2,(H,24,26)
InChIKeyRBXWQJZUFBAYHU-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.20
Rot. Bonds7

About 3-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide

3-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 46281645) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID46281645
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name3-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1c(C(=O)N(Cc2ccco2)CC2CCCO2)oc2ccccc12)C1CC1
InChIInChI=1S/C23H24N2O5/c26-22(15-9-10-15)24-20-18-7-1-2-8-19(18)30-21(20)23(27)25(13-16-5-3-11-28-16)14-17-6-4-12-29-17/h1-3,5,7-8,11,15,17H,4,6,9-10,12-14H2,(H,24,26)
InChIKeyRBXWQJZUFBAYHU-UHFFFAOYSA-N
XLogP4.20
TPSA84.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 50759331
3-[(2-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 92745650
3-[(2-ethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 50759321
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 772640
N-(furan-2-ylmethyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 47537569
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide
CID 772636
N-(furan-2-ylmethyl)-3,5-dinitro-N-(oxolan-2-ylmethyl)benzamide
CID 42664603
3-acetamido-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 86840469
6-fluoro-N-(furan-2-ylmethyl)-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541191
6-bromo-N-(furan-2-ylmethyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541273
N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)morpholine-4-carboxamide
CID 665462
2,4-dichloro-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 3361350

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 46281645) is 3-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide is O=C(Nc1c(C(=O)N(Cc2ccco2)CC2CCCO2)oc2ccccc12)C1CC1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is RBXWQJZUFBAYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c26-22(15-9-10-15)24-20-18-7-1-2-8-19(18)30-21(20)23(27)25(13-16-5-3-11-28-16)14-17-6-4-12-29-17/h1-3,5,7-8,11,15,17H,4,6,9-10,12-14H2,(H,24,26).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide?
3-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 408.45 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46281645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).