4-tert-butyl-N-[2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)ethyl]benzamide

C24H29NO — CID 90076680

IUPAC4-tert-butyl-N-[2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)ethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCc2ccc3c(c2)C2CCC3C2)cc1
InChIInChI=1S/C24H29NO/c1-24(2,3)20-9-7-17(8-10-20)23(26)25-13-12-16-4-11-21-18-5-6-19(15-18)22(21)14-16/h4,7-11,14,18-19H,5-6,12-13,15H2,1-3H3,(H,25,26)
InChIKeyIVHCLYFVVCXXLE-UHFFFAOYSA-N
MW347.50 g/mol
LogP5.32
Rot. Bonds4

About 4-tert-butyl-N-[2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)ethyl]benzamide

4-tert-butyl-N-[2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)ethyl]benzamide (PubChem CID 90076680) has the molecular formula C24H29NO and a molecular weight of 347.50 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)ethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)ethyl]benzamide
PubChem CID90076680
Molecular FormulaC24H29NO
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC Name4-tert-butyl-N-[2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)ethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCc2ccc3c(c2)C2CCC3C2)cc1
InChIInChI=1S/C24H29NO/c1-24(2,3)20-9-7-17(8-10-20)23(26)25-13-12-16-4-11-21-18-5-6-19(15-18)22(21)14-16/h4,7-11,14,18-19H,5-6,12-13,15H2,1-3H3,(H,25,26)
InChIKeyIVHCLYFVVCXXLE-UHFFFAOYSA-N
XLogP5.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.50
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 111892009
N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108542011
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CID 89237915
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4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119263813
N-[2-(4-tert-butylphenyl)ethyl]-4-[3-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
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2-[4-[2-(4-tert-butylphenyl)ethylcarbamoyl]phenoxy]-6-chloro-3,4-dihydro-2H-chromene-4-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)ethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)ethyl]benzamide (CID 90076680) is 4-tert-butyl-N-[2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)ethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)ethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)ethyl]benzamide is CC(C)(C)c1ccc(C(=O)NCCc2ccc3c(c2)C2CCC3C2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)ethyl]benzamide?
The InChIKey is IVHCLYFVVCXXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO/c1-24(2,3)20-9-7-17(8-10-20)23(26)25-13-12-16-4-11-21-18-5-6-19(15-18)22(21)14-16/h4,7-11,14,18-19H,5-6,12-13,15H2,1-3H3,(H,25,26).
What are the key properties of 4-tert-butyl-N-[2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)ethyl]benzamide?
4-tert-butyl-N-[2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)ethyl]benzamide has a molecular weight of 347.50 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)ethyl]benzamide is sourced from PubChem (CID 90076680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).