N-[2-[bis(5-tert-butylfuran-2-yl)methyl]phenyl]benzamide

C30H33NO3 — CID 53309820

IUPACN-[2-[bis(5-tert-butylfuran-2-yl)methyl]phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(c2ccc(C(C)(C)C)o2)c2ccccc2NC(=O)c2ccccc2)o1
InChIInChI=1S/C30H33NO3/c1-29(2,3)25-18-16-23(33-25)27(24-17-19-26(34-24)30(4,5)6)21-14-10-11-15-22(21)31-28(32)20-12-8-7-9-13-20/h7-19,27H,1-6H3,(H,31,32)
InChIKeyARCMXIPUHUMYGD-UHFFFAOYSA-N
MW455.60 g/mol
LogP7.90
Rot. Bonds5

About N-[2-[bis(5-tert-butylfuran-2-yl)methyl]phenyl]benzamide

N-[2-[bis(5-tert-butylfuran-2-yl)methyl]phenyl]benzamide (PubChem CID 53309820) has the molecular formula C30H33NO3 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-[2-[bis(5-tert-butylfuran-2-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[bis(5-tert-butylfuran-2-yl)methyl]phenyl]benzamide
PubChem CID53309820
Molecular FormulaC30H33NO3
Molecular Weight455.60 g/mol
Exact Mass455.25
IUPAC NameN-[2-[bis(5-tert-butylfuran-2-yl)methyl]phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(c2ccc(C(C)(C)C)o2)c2ccccc2NC(=O)c2ccccc2)o1
InChIInChI=1S/C30H33NO3/c1-29(2,3)25-18-16-23(33-25)27(24-17-19-26(34-24)30(4,5)6)21-14-10-11-15-22(21)31-28(32)20-12-8-7-9-13-20/h7-19,27H,1-6H3,(H,31,32)
InChIKeyARCMXIPUHUMYGD-UHFFFAOYSA-N
XLogP7.90
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 57.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-propan-2-ylphenyl)benzamide
CID 723391
2-[(5-tert-butylfuran-2-carbonyl)amino]benzoic acid
CID 778066
N-[2-[bis(5-tert-butylfuran-2-yl)methyl]-4,5-dimethoxyphenyl]-4-nitrobenzamide
CID 102517574
N-[2-(1-hydroxypropyl)phenyl]benzamide
CID 5304891
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
3-[(2-propan-2-ylphenyl)carbamoyl]benzoic acid
CID 43452749
N-[2-(1-oxo-1-phenylbutan-2-yl)phenyl]benzamide
CID 134947552
N-[2-[1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentan-3-yl]phenyl]benzamide
CID 142710044
N-[2-(methylamino)phenyl]benzamide
CID 101444547
N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 709320
N-(2-tert-butylphenyl)-4-iodobenzamide
CID 60628050
zinc N-(2-sulfanylphenyl)benzamide
CID 22756062

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis(5-tert-butylfuran-2-yl)methyl]phenyl]benzamide?
The IUPAC name of N-[2-[bis(5-tert-butylfuran-2-yl)methyl]phenyl]benzamide (CID 53309820) is N-[2-[bis(5-tert-butylfuran-2-yl)methyl]phenyl]benzamide.
What is the SMILES notation for N-[2-[bis(5-tert-butylfuran-2-yl)methyl]phenyl]benzamide?
The canonical SMILES for N-[2-[bis(5-tert-butylfuran-2-yl)methyl]phenyl]benzamide is CC(C)(C)c1ccc(C(c2ccc(C(C)(C)C)o2)c2ccccc2NC(=O)c2ccccc2)o1.
What is the InChIKey of N-[2-[bis(5-tert-butylfuran-2-yl)methyl]phenyl]benzamide?
The InChIKey is ARCMXIPUHUMYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33NO3/c1-29(2,3)25-18-16-23(33-25)27(24-17-19-26(34-24)30(4,5)6)21-14-10-11-15-22(21)31-28(32)20-12-8-7-9-13-20/h7-19,27H,1-6H3,(H,31,32).
What are the key properties of N-[2-[bis(5-tert-butylfuran-2-yl)methyl]phenyl]benzamide?
N-[2-[bis(5-tert-butylfuran-2-yl)methyl]phenyl]benzamide has a molecular weight of 455.60 g/mol, XLogP of 7.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis(5-tert-butylfuran-2-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 53309820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).