4-[[ethyl(propan-2-yl)amino]methyl]-N-[(S)-furan-2-yl(phenyl)methyl]benzamide

C24H28N2O2 — CID 52516146

IUPAC4-[[ethyl(propan-2-yl)amino]methyl]-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
SMILESCCN(Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccco2)cc1)C(C)C
InChIInChI=1S/C24H28N2O2/c1-4-26(18(2)3)17-19-12-14-21(15-13-19)24(27)25-23(22-11-8-16-28-22)20-9-6-5-7-10-20/h5-16,18,23H,4,17H2,1-3H3,(H,25,27)/t23-/m0/s1
InChIKeyDIWSNMHXHYKRJM-QHCPKHFHSA-N
MW376.50 g/mol
LogP5.03
Rot. Bonds8

About 4-[[ethyl(propan-2-yl)amino]methyl]-N-[(S)-furan-2-yl(phenyl)methyl]benzamide

4-[[ethyl(propan-2-yl)amino]methyl]-N-[(S)-furan-2-yl(phenyl)methyl]benzamide (PubChem CID 52516146) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-[[ethyl(propan-2-yl)amino]methyl]-N-[(S)-furan-2-yl(phenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[[ethyl(propan-2-yl)amino]methyl]-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
PubChem CID52516146
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name4-[[ethyl(propan-2-yl)amino]methyl]-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
SMILESCCN(Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccco2)cc1)C(C)C
InChIInChI=1S/C24H28N2O2/c1-4-26(18(2)3)17-19-12-14-21(15-13-19)24(27)25-23(22-11-8-16-28-22)20-9-6-5-7-10-20/h5-16,18,23H,4,17H2,1-3H3,(H,25,27)/t23-/m0/s1
InChIKeyDIWSNMHXHYKRJM-QHCPKHFHSA-N
XLogP5.03
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(diethylsulfamoyl)-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928237
4-(acetamidomethyl)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 134029454
4-(dimethylamino)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 134029302
N-[(S)-furan-2-yl(phenyl)methyl]-4-(trifluoromethyl)benzamide
CID 8928135
3,4,5-triethoxy-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928137
4-[[ethyl(propan-2-yl)amino]methyl]benzohydrazide
CID 63573634
N-[(R)-furan-2-yl(phenyl)methyl]-3,5-dimethylbenzamide
CID 8928204
4-[[ethyl(propan-2-yl)amino]methyl]-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 94822134
4-[[ethyl(propan-2-yl)amino]methyl]-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482555
2-(ethylamino)-N-[(R)-furan-2-yl(phenyl)methyl]pyrimidine-5-carboxamide
CID 97148730
N-[furan-2-yl(phenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 55405944
3,5-difluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928311

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(propan-2-yl)amino]methyl]-N-[(S)-furan-2-yl(phenyl)methyl]benzamide?
The IUPAC name of 4-[[ethyl(propan-2-yl)amino]methyl]-N-[(S)-furan-2-yl(phenyl)methyl]benzamide (CID 52516146) is 4-[[ethyl(propan-2-yl)amino]methyl]-N-[(S)-furan-2-yl(phenyl)methyl]benzamide.
What is the SMILES notation for 4-[[ethyl(propan-2-yl)amino]methyl]-N-[(S)-furan-2-yl(phenyl)methyl]benzamide?
The canonical SMILES for 4-[[ethyl(propan-2-yl)amino]methyl]-N-[(S)-furan-2-yl(phenyl)methyl]benzamide is CCN(Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccco2)cc1)C(C)C.
What is the InChIKey of 4-[[ethyl(propan-2-yl)amino]methyl]-N-[(S)-furan-2-yl(phenyl)methyl]benzamide?
The InChIKey is DIWSNMHXHYKRJM-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-4-26(18(2)3)17-19-12-14-21(15-13-19)24(27)25-23(22-11-8-16-28-22)20-9-6-5-7-10-20/h5-16,18,23H,4,17H2,1-3H3,(H,25,27)/t23-/m0/s1.
What are the key properties of 4-[[ethyl(propan-2-yl)amino]methyl]-N-[(S)-furan-2-yl(phenyl)methyl]benzamide?
4-[[ethyl(propan-2-yl)amino]methyl]-N-[(S)-furan-2-yl(phenyl)methyl]benzamide has a molecular weight of 376.50 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(propan-2-yl)amino]methyl]-N-[(S)-furan-2-yl(phenyl)methyl]benzamide is sourced from PubChem (CID 52516146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).