4-tert-butyl-N-[2-[[furan-2-yl(phenyl)methyl]amino]-2-oxoethyl]benzamide

C24H26N2O3 — CID 134029320

IUPAC4-tert-butyl-N-[2-[[furan-2-yl(phenyl)methyl]amino]-2-oxoethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)NC(c2ccccc2)c2ccco2)cc1
InChIInChI=1S/C24H26N2O3/c1-24(2,3)19-13-11-18(12-14-19)23(28)25-16-21(27)26-22(20-10-7-15-29-20)17-8-5-4-6-9-17/h4-15,22H,16H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyBQCIZSBSIOGPGB-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.21
Rot. Bonds6

About 4-tert-butyl-N-[2-[[furan-2-yl(phenyl)methyl]amino]-2-oxoethyl]benzamide

4-tert-butyl-N-[2-[[furan-2-yl(phenyl)methyl]amino]-2-oxoethyl]benzamide (PubChem CID 134029320) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[[furan-2-yl(phenyl)methyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[[furan-2-yl(phenyl)methyl]amino]-2-oxoethyl]benzamide
PubChem CID134029320
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name4-tert-butyl-N-[2-[[furan-2-yl(phenyl)methyl]amino]-2-oxoethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)NC(c2ccccc2)c2ccco2)cc1
InChIInChI=1S/C24H26N2O3/c1-24(2,3)19-13-11-18(12-14-19)23(28)25-16-21(27)26-22(20-10-7-15-29-20)17-8-5-4-6-9-17/h4-15,22H,16H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyBQCIZSBSIOGPGB-UHFFFAOYSA-N
XLogP4.21
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(acetamidomethyl)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 134029454
N-[(S)-furan-2-yl(phenyl)methyl]-4-(trifluoromethyl)benzamide
CID 8928135
5-[[(S)-furan-2-yl(phenyl)methyl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 94553211
4-tert-butyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide
CID 51966010
N-[furan-2-yl(phenyl)methyl]-2-(propylamino)acetamide
CID 60661858
[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 9492394
N-[furan-2-yl(phenyl)methyl]-2-methoxyacetamide
CID 47140612
4-(dimethylamino)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 134029302
3-chloro-N-[furan-2-yl(phenyl)methyl]propanamide
CID 60780331
4-tert-butyl-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 55347489
2-ethoxy-N-[furan-2-yl(phenyl)methyl]acetamide
CID 60712310
benzhydryl 2-[(4-tert-butylbenzoyl)amino]acetate
CID 3681264

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[[furan-2-yl(phenyl)methyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-[[furan-2-yl(phenyl)methyl]amino]-2-oxoethyl]benzamide (CID 134029320) is 4-tert-butyl-N-[2-[[furan-2-yl(phenyl)methyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[[furan-2-yl(phenyl)methyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[[furan-2-yl(phenyl)methyl]amino]-2-oxoethyl]benzamide is CC(C)(C)c1ccc(C(=O)NCC(=O)NC(c2ccccc2)c2ccco2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-[[furan-2-yl(phenyl)methyl]amino]-2-oxoethyl]benzamide?
The InChIKey is BQCIZSBSIOGPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-24(2,3)19-13-11-18(12-14-19)23(28)25-16-21(27)26-22(20-10-7-15-29-20)17-8-5-4-6-9-17/h4-15,22H,16H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of 4-tert-butyl-N-[2-[[furan-2-yl(phenyl)methyl]amino]-2-oxoethyl]benzamide?
4-tert-butyl-N-[2-[[furan-2-yl(phenyl)methyl]amino]-2-oxoethyl]benzamide has a molecular weight of 390.48 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[[furan-2-yl(phenyl)methyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 134029320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).