N,2,4,6-tetratert-butylbenzamide

C23H39NO — CID 18630063

IUPACN,2,4,6-tetratert-butylbenzamide
SMILESCC(C)(C)NC(=O)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C23H39NO/c1-20(2,3)15-13-16(21(4,5)6)18(17(14-15)22(7,8)9)19(25)24-23(10,11)12/h13-14H,1-12H3,(H,24,25)
InChIKeyWYRGNZXWKJFTNH-UHFFFAOYSA-N
MW345.57 g/mol
LogP6.11
Rot. Bonds1

About N,2,4,6-tetratert-butylbenzamide

N,2,4,6-tetratert-butylbenzamide (PubChem CID 18630063) has the molecular formula C23H39NO and a molecular weight of 345.57 g/mol. Its IUPAC name is N,2,4,6-tetratert-butylbenzamide.

Molecular Properties

Compound NameN,2,4,6-tetratert-butylbenzamide
PubChem CID18630063
Molecular FormulaC23H39NO
Molecular Weight345.57 g/mol
Exact Mass345.30
IUPAC NameN,2,4,6-tetratert-butylbenzamide
SMILESCC(C)(C)NC(=O)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C23H39NO/c1-20(2,3)15-13-16(21(4,5)6)18(17(14-15)22(7,8)9)19(25)24-23(10,11)12/h13-14H,1-12H3,(H,24,25)
InChIKeyWYRGNZXWKJFTNH-UHFFFAOYSA-N
XLogP6.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.57
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,2,4,6-tetratert-butylbenzamide?
The IUPAC name of N,2,4,6-tetratert-butylbenzamide (CID 18630063) is N,2,4,6-tetratert-butylbenzamide.
What is the SMILES notation for N,2,4,6-tetratert-butylbenzamide?
The canonical SMILES for N,2,4,6-tetratert-butylbenzamide is CC(C)(C)NC(=O)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of N,2,4,6-tetratert-butylbenzamide?
The InChIKey is WYRGNZXWKJFTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO/c1-20(2,3)15-13-16(21(4,5)6)18(17(14-15)22(7,8)9)19(25)24-23(10,11)12/h13-14H,1-12H3,(H,24,25).
What are the key properties of N,2,4,6-tetratert-butylbenzamide?
N,2,4,6-tetratert-butylbenzamide has a molecular weight of 345.57 g/mol, XLogP of 6.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4,6-tetratert-butylbenzamide is sourced from PubChem (CID 18630063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).