3,4,5-triethoxy-N-[(S)-furan-2-yl(phenyl)methyl]benzamide

C24H27NO5 — CID 8928137

IUPAC3,4,5-triethoxy-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
SMILESCCOc1cc(C(=O)N[C@@H](c2ccccc2)c2ccco2)cc(OCC)c1OCC
InChIInChI=1S/C24H27NO5/c1-4-27-20-15-18(16-21(28-5-2)23(20)29-6-3)24(26)25-22(19-13-10-14-30-19)17-11-8-7-9-12-17/h7-16,22H,4-6H2,1-3H3,(H,25,26)/t22-/m0/s1
InChIKeyCDUDJXNCXFWYGL-QFIPXVFZSA-N
MW409.48 g/mol
LogP5.00
Rot. Bonds10

About 3,4,5-triethoxy-N-[(S)-furan-2-yl(phenyl)methyl]benzamide

3,4,5-triethoxy-N-[(S)-furan-2-yl(phenyl)methyl]benzamide (PubChem CID 8928137) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[(S)-furan-2-yl(phenyl)methyl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
PubChem CID8928137
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC Name3,4,5-triethoxy-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
SMILESCCOc1cc(C(=O)N[C@@H](c2ccccc2)c2ccco2)cc(OCC)c1OCC
InChIInChI=1S/C24H27NO5/c1-4-27-20-15-18(16-21(28-5-2)23(20)29-6-3)24(26)25-22(19-13-10-14-30-19)17-11-8-7-9-12-17/h7-16,22H,4-6H2,1-3H3,(H,25,26)/t22-/m0/s1
InChIKeyCDUDJXNCXFWYGL-QFIPXVFZSA-N
XLogP5.00
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-triethoxy-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820643
N-[(R)-furan-2-yl(phenyl)methyl]-3,5-dimethylbenzamide
CID 8928204
3,5-difluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928311
4-butoxy-N-[furan-2-yl(phenyl)methyl]-3-methoxybenzamide
CID 134029325
N-(2-amino-2-oxo-1-phenylethyl)-3,4,5-triethoxybenzamide
CID 51308652
2-(ethylamino)-N-[(R)-furan-2-yl(phenyl)methyl]pyrimidine-5-carboxamide
CID 97148730
4-(dimethylamino)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 134029302
(E)-3-(2-ethoxyphenyl)-N-[furan-2-yl(phenyl)methyl]prop-2-enamide
CID 134029408
methyl 3-phenyl-3-[(3,4,5-triethoxybenzoyl)amino]propanoate
CID 46483385
N-(2-amino-2-phenylethyl)-3,4,5-triethoxybenzamide
CID 119527990
3,4,5-triethoxy-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]benzamide
CID 60588886
8-ethoxy-N-[furan-2-yl(phenyl)methyl]-2H-chromene-3-carboxamide
CID 55759749

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[(S)-furan-2-yl(phenyl)methyl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[(S)-furan-2-yl(phenyl)methyl]benzamide (CID 8928137) is 3,4,5-triethoxy-N-[(S)-furan-2-yl(phenyl)methyl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[(S)-furan-2-yl(phenyl)methyl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[(S)-furan-2-yl(phenyl)methyl]benzamide is CCOc1cc(C(=O)N[C@@H](c2ccccc2)c2ccco2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[(S)-furan-2-yl(phenyl)methyl]benzamide?
The InChIKey is CDUDJXNCXFWYGL-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H27NO5/c1-4-27-20-15-18(16-21(28-5-2)23(20)29-6-3)24(26)25-22(19-13-10-14-30-19)17-11-8-7-9-12-17/h7-16,22H,4-6H2,1-3H3,(H,25,26)/t22-/m0/s1.
What are the key properties of 3,4,5-triethoxy-N-[(S)-furan-2-yl(phenyl)methyl]benzamide?
3,4,5-triethoxy-N-[(S)-furan-2-yl(phenyl)methyl]benzamide has a molecular weight of 409.48 g/mol, XLogP of 5.00, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[(S)-furan-2-yl(phenyl)methyl]benzamide is sourced from PubChem (CID 8928137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).